5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin

C33H24N4O — CID 135438562

IUPAC5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
SMILESCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C33H24N4O/c1-38-27-9-5-8-22(18-27)33-30-16-12-25(36-30)19-23-10-14-28(34-23)32(21-6-3-2-4-7-21)29-15-11-24(35-29)20-26-13-17-31(33)37-26/h2-20,34,37H,1H3/b23-19-,24-20-,25-19-,26-20-,32-28-,32-29-,33-30-,33-31-
InChIKeyFILLVXUWWGROFW-MKHRQQLVSA-N
MW492.58 g/mol
LogP8.00
Rot. Bonds3

About 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin

5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin (PubChem CID 135438562) has the molecular formula C33H24N4O and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
PubChem CID135438562
Molecular FormulaC33H24N4O
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
SMILESCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C33H24N4O/c1-38-27-9-5-8-22(18-27)33-30-16-12-25(36-30)19-23-10-14-28(34-23)32(21-6-3-2-4-7-21)29-15-11-24(35-29)20-26-13-17-31(33)37-26/h2-20,34,37H,1H3/b23-19-,24-20-,25-19-,26-20-,32-28-,32-29-,33-30-,33-31-
InChIKeyFILLVXUWWGROFW-MKHRQQLVSA-N
XLogP8.00
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin (CID 135438562) is 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin is COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin?
The InChIKey is FILLVXUWWGROFW-MKHRQQLVSA-N. The full InChI is InChI=1S/C33H24N4O/c1-38-27-9-5-8-22(18-27)33-30-16-12-25(36-30)19-23-10-14-28(34-23)32(21-6-3-2-4-7-21)29-15-11-24(35-29)20-26-13-17-31(33)37-26/h2-20,34,37H,1H3/b23-19-,24-20-,25-19-,26-20-,32-28-,32-29-,33-30-,33-31-.
What are the key properties of 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin?
5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin has a molecular weight of 492.58 g/mol, XLogP of 8.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135438562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).