3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

C38H26N4O3 — CID 141240243

IUPAC3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESOc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C38H26N4O3/c43-27-7-1-4-22(18-27)36-30-12-10-25(39-30)21-26-11-13-31(40-26)37(23-5-2-8-28(44)19-23)33-15-17-35(42-33)38(34-16-14-32(36)41-34)24-6-3-9-29(45)20-24/h1-21,39,42-45H/b25-21-,26-21-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-
InChIKeyAMLZCCNUWFWANA-JYKFUDPBSA-N
MW586.65 g/mol
LogP8.77
Rot. Bonds3

About 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (PubChem CID 141240243) has the molecular formula C38H26N4O3 and a molecular weight of 586.65 g/mol. Its IUPAC name is 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
PubChem CID141240243
Molecular FormulaC38H26N4O3
Molecular Weight586.65 g/mol
Exact Mass586.20
IUPAC Name3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESOc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C38H26N4O3/c43-27-7-1-4-22(18-27)36-30-12-10-25(39-30)21-26-11-13-31(40-26)37(23-5-2-8-28(44)19-23)33-15-17-35(42-33)38(34-16-14-32(36)41-34)24-6-3-9-29(45)20-24/h1-21,39,42-45H/b25-21-,26-21-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-
InChIKeyAMLZCCNUWFWANA-JYKFUDPBSA-N
XLogP8.77
TPSA118.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.65
LogP ≤ 58.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
5,15-bis(3-methoxyphenyl)-21,22-dihydroporphyrin
CID 11642161
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
CID 151835088

Frequently Asked Questions

What is the IUPAC name of 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The IUPAC name of 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (CID 141240243) is 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.
What is the SMILES notation for 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The canonical SMILES for 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The InChIKey is AMLZCCNUWFWANA-JYKFUDPBSA-N. The full InChI is InChI=1S/C38H26N4O3/c43-27-7-1-4-22(18-27)36-30-12-10-25(39-30)21-26-11-13-31(40-26)37(23-5-2-8-28(44)19-23)33-15-17-35(42-33)38(34-16-14-32(36)41-34)24-6-3-9-29(45)20-24/h1-21,39,42-45H/b25-21-,26-21-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-.
What are the key properties of 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol has a molecular weight of 586.65 g/mol, XLogP of 8.77, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is sourced from PubChem (CID 141240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).