5,15-Bis(4-ethynylphenyl)porphyrin

Inquiry

Molecular Formula:

C36H22N4

Molecular Weight:

510.59

CAS Number:

632301-81-6

Catalog Number:

632301-81-6

Product Information

Molecular Formula:

C36H22N4

Molecular Weight:

510.59

Synonyms

5,15-Di(4-ethynylphenyl)porphyrin; 5,15-di-(p-ethynylphenyl)porphyrin; 5-15-(di-4-ethynylphenyl)porphyrin; 5,15-Bis(4-ethynylphenyl)-21H,23H-porphyrin; 10,20-Bis(4-ethynylphenyl)-21H,23H-porphyrin

IUPAC Name

5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin

Canonical SMILES

C#CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)C#C)C=C4)N3

InChI

InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37-38H

InChI Key

OYXXRSFMSKAHHX-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

7.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

510.18444672

Monoisotopic Mass

510.18444672

Topological Polar Surface Area

57.4

Heavy Atom Count

Formal Charge

Complexity

916

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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5,15-Bis(4-ethynylphenyl)porphyrin

Product Information

Computed Properties

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