1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

C38H32N2O4 — CID 127050101

IUPAC1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)c2ccc(O)cc12
InChIInChI=1S/C38H32N2O4/c1-23-33-19-31(43)15-17-35(33)39(37(23)27-7-11-29(41)12-8-27)21-25-3-5-26(6-4-25)22-40-36-18-16-32(44)20-34(36)24(2)38(40)28-9-13-30(42)14-10-28/h3-20,41-44H,21-22H2,1-2H3
InChIKeyDUOCKUZXPGRIMY-UHFFFAOYSA-N
MW580.68 g/mol
LogP8.47
Rot. Bonds6

About 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol (PubChem CID 127050101) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol.

Molecular Properties

Compound Name1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
PubChem CID127050101
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Name1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)c2ccc(O)cc12
InChIInChI=1S/C38H32N2O4/c1-23-33-19-31(43)15-17-35(33)39(37(23)27-7-11-29(41)12-8-27)21-25-3-5-26(6-4-25)22-40-36-18-16-32(44)20-34(36)24(2)38(40)28-9-13-30(42)14-10-28/h3-20,41-44H,21-22H2,1-2H3
InChIKeyDUOCKUZXPGRIMY-UHFFFAOYSA-N
XLogP8.47
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 58.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol 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 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The IUPAC name of 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol (CID 127050101) is 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol.
What is the SMILES notation for 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The canonical SMILES for 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol is Cc1c(-c2ccc(O)cc2)n(Cc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)c2ccc(O)cc12.
What is the InChIKey of 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The InChIKey is DUOCKUZXPGRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c1-23-33-19-31(43)15-17-35(33)39(37(23)27-7-11-29(41)12-8-27)21-25-3-5-26(6-4-25)22-40-36-18-16-32(44)20-34(36)24(2)38(40)28-9-13-30(42)14-10-28/h3-20,41-44H,21-22H2,1-2H3.
What are the key properties of 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol has a molecular weight of 580.68 g/mol, XLogP of 8.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol is sourced from PubChem (CID 127050101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).