5,15-bis(2-methylphenyl)porphyrin

C34H24N4 — CID 67662675

IUPAC5,15-bis(2-methylphenyl)porphyrin
SMILESCc1ccccc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C34H24N4/c1-21-7-3-5-9-27(21)33-29-15-11-23(35-29)19-25-13-17-31(37-25)34(28-10-6-4-8-22(28)2)32-18-14-26(38-32)20-24-12-16-30(33)36-24/h3-20H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyXJKRUOQGKWYRFA-QXMHVHRDSA-N
MW488.59 g/mol
LogP7.25
Rot. Bonds2

About 5,15-bis(2-methylphenyl)porphyrin

5,15-bis(2-methylphenyl)porphyrin (PubChem CID 67662675) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5,15-bis(2-methylphenyl)porphyrin.

Molecular Properties

Compound Name5,15-bis(2-methylphenyl)porphyrin
PubChem CID67662675
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name5,15-bis(2-methylphenyl)porphyrin
SMILESCc1ccccc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C34H24N4/c1-21-7-3-5-9-27(21)33-29-15-11-23(35-29)19-25-13-17-31(37-25)34(28-10-6-4-8-22(28)2)32-18-14-26(38-32)20-24-12-16-30(33)36-24/h3-20H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyXJKRUOQGKWYRFA-QXMHVHRDSA-N
XLogP7.25
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2-methylphenyl)porphyrin?
The IUPAC name of 5,15-bis(2-methylphenyl)porphyrin (CID 67662675) is 5,15-bis(2-methylphenyl)porphyrin.
What is the SMILES notation for 5,15-bis(2-methylphenyl)porphyrin?
The canonical SMILES for 5,15-bis(2-methylphenyl)porphyrin is Cc1ccccc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2ccccc2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5,15-bis(2-methylphenyl)porphyrin?
The InChIKey is XJKRUOQGKWYRFA-QXMHVHRDSA-N. The full InChI is InChI=1S/C34H24N4/c1-21-7-3-5-9-27(21)33-29-15-11-23(35-29)19-25-13-17-31(37-25)34(28-10-6-4-8-22(28)2)32-18-14-26(38-32)20-24-12-16-30(33)36-24/h3-20H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-.
What are the key properties of 5,15-bis(2-methylphenyl)porphyrin?
5,15-bis(2-methylphenyl)porphyrin has a molecular weight of 488.59 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2-methylphenyl)porphyrin is sourced from PubChem (CID 67662675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).