1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol

C43H34N4O4 — CID 161179292

IUPAC1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
SMILESCO.N#Cc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.NC(=O)c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2.C21H14N2O.CH4O/c22-21(25)19-17-8-4-5-9-18(17)23(15-10-12-16(24)13-11-15)20(19)14-6-2-1-3-7-14;22-14-19-18-8-4-5-9-20(18)23(16-10-12-17(24)13-11-16)21(19)15-6-2-1-3-7-15;1-2/h1-13,24H,(H2,22,25);1-13,24H;2H,1H3
InChIKeyUSFPNRXZTNVZCG-UHFFFAOYSA-N
MW670.77 g/mol
LogP8.59
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol

1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol (PubChem CID 161179292) has the molecular formula C43H34N4O4 and a molecular weight of 670.77 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
PubChem CID161179292
Molecular FormulaC43H34N4O4
Molecular Weight670.77 g/mol
Exact Mass670.26
IUPAC Name1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
SMILESCO.N#Cc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.NC(=O)c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2.C21H14N2O.CH4O/c22-21(25)19-17-8-4-5-9-18(17)23(15-10-12-16(24)13-11-15)20(19)14-6-2-1-3-7-14;22-14-19-18-8-4-5-9-20(18)23(16-10-12-17(24)13-11-16)21(19)15-6-2-1-3-7-15;1-2/h1-13,24H,(H2,22,25);1-13,24H;2H,1H3
InChIKeyUSFPNRXZTNVZCG-UHFFFAOYSA-N
XLogP8.59
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 58.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile
CID 66885885
1-(4-hydroxyphenyl)-2-prop-1-ynylindole-3-carboxylic acid
CID 142763531
(E)-2-cyano-3-(1,2-diphenylindol-3-yl)prop-2-enamide
CID 2361503
[1-(4-hydroxyphenyl)-2-phenylindol-3-yl] N-hydroxycarbamate
CID 118071965
2-bromo-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(dimethylamino)-1-(4-hydroxyphenyl)indole-3-carbonitrile
CID 159785226
4-(2-amino-3,4-dicyano-5-phenylpyrrol-1-yl)benzoic acid
CID 660267
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide;2-(4-fluorophenoxy)-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 172971897

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol?
The IUPAC name of 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol (CID 161179292) is 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol is CO.N#Cc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.NC(=O)c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol?
The InChIKey is USFPNRXZTNVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2.C21H14N2O.CH4O/c22-21(25)19-17-8-4-5-9-18(17)23(15-10-12-16(24)13-11-15)20(19)14-6-2-1-3-7-14;22-14-19-18-8-4-5-9-20(18)23(16-10-12-17(24)13-11-16)21(19)15-6-2-1-3-7-15;1-2/h1-13,24H,(H2,22,25);1-13,24H;2H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol?
1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol has a molecular weight of 670.77 g/mol, XLogP of 8.59, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol is sourced from PubChem (CID 161179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).