[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol

C43H34N2O — CID 139351941

IUPAC[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1c[nH]c2cccc(CC(c3ccc(-c4ccccc4)cc3)c3c[nH]c4ccccc34)c12
InChIInChI=1S/C43H34N2O/c46-43(34-24-20-32(21-25-34)30-12-5-2-6-13-30)39-28-45-41-17-9-14-35(42(39)41)26-37(38-27-44-40-16-8-7-15-36(38)40)33-22-18-31(19-23-33)29-10-3-1-4-11-29/h1-25,27-28,37,43-46H,26H2
InChIKeyYKJGOINZPCRHCQ-UHFFFAOYSA-N
MW594.76 g/mol
LogP10.44
Rot. Bonds8

About [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol

[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol (PubChem CID 139351941) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol
PubChem CID139351941
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC Name[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1c[nH]c2cccc(CC(c3ccc(-c4ccccc4)cc3)c3c[nH]c4ccccc34)c12
InChIInChI=1S/C43H34N2O/c46-43(34-24-20-32(21-25-34)30-12-5-2-6-13-30)39-28-45-41-17-9-14-35(42(39)41)26-37(38-27-44-40-16-8-7-15-36(38)40)33-22-18-31(19-23-33)29-10-3-1-4-11-29/h1-25,27-28,37,43-46H,26H2
InChIKeyYKJGOINZPCRHCQ-UHFFFAOYSA-N
XLogP10.44
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 510.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol 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 [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol?
The IUPAC name of [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol (CID 139351941) is [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol.
What is the SMILES notation for [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol?
The canonical SMILES for [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol is OC(c1ccc(-c2ccccc2)cc1)c1c[nH]c2cccc(CC(c3ccc(-c4ccccc4)cc3)c3c[nH]c4ccccc34)c12.
What is the InChIKey of [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol?
The InChIKey is YKJGOINZPCRHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c46-43(34-24-20-32(21-25-34)30-12-5-2-6-13-30)39-28-45-41-17-9-14-35(42(39)41)26-37(38-27-44-40-16-8-7-15-36(38)40)33-22-18-31(19-23-33)29-10-3-1-4-11-29/h1-25,27-28,37,43-46H,26H2.
What are the key properties of [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol?
[4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol has a molecular weight of 594.76 g/mol, XLogP of 10.44, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-indol-3-yl)-2-(4-phenylphenyl)ethyl]-1H-indol-3-yl]-(4-phenylphenyl)methanol is sourced from PubChem (CID 139351941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).