4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol

C35H26N2O — CID 2851372

IUPAC4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol
SMILESOc1ccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C35H26N2O/c38-26-21-19-23(20-22-26)31(32-27-15-7-9-17-29(27)36-34(32)24-11-3-1-4-12-24)33-28-16-8-10-18-30(28)37-35(33)25-13-5-2-6-14-25/h1-22,31,36-38H
InChIKeyRTLFNHYKEQMKGB-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.87
Rot. Bonds5

About 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol

4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol (PubChem CID 2851372) has the molecular formula C35H26N2O and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol
PubChem CID2851372
Molecular FormulaC35H26N2O
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol
SMILESOc1ccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C35H26N2O/c38-26-21-19-23(20-22-26)31(32-27-15-7-9-17-29(27)36-34(32)24-11-3-1-4-12-24)33-28-16-8-10-18-30(28)37-35(33)25-13-5-2-6-14-25/h1-22,31,36-38H
InChIKeyRTLFNHYKEQMKGB-UHFFFAOYSA-N
XLogP8.87
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol?
The IUPAC name of 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol (CID 2851372) is 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol.
What is the SMILES notation for 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol?
The canonical SMILES for 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol is Oc1ccc(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol?
The InChIKey is RTLFNHYKEQMKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O/c38-26-21-19-23(20-22-26)31(32-27-15-7-9-17-29(27)36-34(32)24-11-3-1-4-12-24)33-28-16-8-10-18-30(28)37-35(33)25-13-5-2-6-14-25/h1-22,31,36-38H.
What are the key properties of 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol?
4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol has a molecular weight of 490.61 g/mol, XLogP of 8.87, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol is sourced from PubChem (CID 2851372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).