15-bromo-10,20-diphenyl-21,22-dihydroporphyrin

C32H21BrN4 — CID 10875232

IUPAC15-bromo-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C32H21BrN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34-35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyZTMAQWDIESZELH-BRZPQLSBSA-N
MW541.45 g/mol
LogP8.75
Rot. Bonds2

About 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin

15-bromo-10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 10875232) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-bromo-10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID10875232
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name15-bromo-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C32H21BrN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34-35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyZTMAQWDIESZELH-BRZPQLSBSA-N
XLogP8.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin (CID 10875232) is 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin is Brc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is ZTMAQWDIESZELH-BRZPQLSBSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34-35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+.
What are the key properties of 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin?
15-bromo-10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 541.45 g/mol, XLogP of 8.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 10875232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).