2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile

C30H24N2O — CID 171781186

IUPAC2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile
SMILESCc1ccc(C(C#N)(c2ccc(O)cc2)c2ccc3c(C)c(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C30H24N2O/c1-20-8-10-23(11-9-20)30(19-31,24-12-15-26(33)16-13-24)25-14-17-27-21(2)29(32-28(27)18-25)22-6-4-3-5-7-22/h3-18,32-33H,1-2H3
InChIKeyOBYYMAGNXSSFLV-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.02
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile

2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile (PubChem CID 171781186) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile
PubChem CID171781186
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile
SMILESCc1ccc(C(C#N)(c2ccc(O)cc2)c2ccc3c(C)c(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C30H24N2O/c1-20-8-10-23(11-9-20)30(19-31,24-12-15-26(33)16-13-24)25-14-17-27-21(2)29(32-28(27)18-25)22-6-4-3-5-7-22/h3-18,32-33H,1-2H3
InChIKeyOBYYMAGNXSSFLV-UHFFFAOYSA-N
XLogP7.02
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile (CID 171781186) is 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile is Cc1ccc(C(C#N)(c2ccc(O)cc2)c2ccc3c(C)c(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile?
The InChIKey is OBYYMAGNXSSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-20-8-10-23(11-9-20)30(19-31,24-12-15-26(33)16-13-24)25-14-17-27-21(2)29(32-28(27)18-25)22-6-4-3-5-7-22/h3-18,32-33H,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile?
2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile has a molecular weight of 428.54 g/mol, XLogP of 7.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile is sourced from PubChem (CID 171781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).