5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin

C34H26N4O2 — CID 135922930

IUPAC5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C34H26N4O2/c1-39-27-11-3-21(4-12-27)33-29-15-7-23(35-29)19-25-9-17-31(37-25)34(22-5-13-28(40-2)14-6-22)32-18-10-26(38-32)20-24-8-16-30(33)36-24/h3-20,35,38H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyBLXCIFQHKILJEZ-QXMHVHRDSA-N
MW522.61 g/mol
LogP8.01
Rot. Bonds4

About 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin

5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135922930) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135922930
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C34H26N4O2/c1-39-27-11-3-21(4-12-27)33-29-15-7-23(35-29)19-25-9-17-31(37-25)34(22-5-13-28(40-2)14-6-22)32-18-10-26(38-32)20-24-8-16-30(33)36-24/h3-20,35,38H,1-2H3/b23-19-,24-20-,25-19-,26-20-,33-29-,33-30-,34-31-,34-32-
InChIKeyBLXCIFQHKILJEZ-QXMHVHRDSA-N
XLogP8.01
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin (CID 135922930) is 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is BLXCIFQHKILJEZ-QXMHVHRDSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-39-27-11-3-21(4-12-27)33-29-15-7-23(35-29)19-25-9-17-31(37-25)34(22-5-13-28(40-2)14-6-22)32-18-10-26(38-32)20-24-8-16-30(33)36-24/h3-20,35,38H,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(4-methoxyphenyl)-21,23-dihydroporphyrin?
5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 522.61 g/mol, XLogP of 8.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-methoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135922930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).