2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile

C16H10N4 — CID 91739124

IUPAC2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile
SMILESN#Cc1cc2[nH]c(N)c(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C16H10N4/c17-8-11-6-13-14(7-12(11)9-18)20-16(19)15(13)10-4-2-1-3-5-10/h1-7,20H,19H2
InChIKeyNDFXGNYZYWQPRK-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.16
Rot. Bonds1

About 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile

2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile (PubChem CID 91739124) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile.

Molecular Properties

Compound Name2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile
PubChem CID91739124
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile
SMILESN#Cc1cc2[nH]c(N)c(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C16H10N4/c17-8-11-6-13-14(7-12(11)9-18)20-16(19)15(13)10-4-2-1-3-5-10/h1-7,20H,19H2
InChIKeyNDFXGNYZYWQPRK-UHFFFAOYSA-N
XLogP3.16
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 102016835
3,4,5-triphenyl-1H-pyrrol-2-amine
CID 172835095
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
1-phenylanthracene-2-carbonitrile
CID 175261517
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carbonitrile
CID 164684260
2-[2-(3-cyanophenyl)-4,5-bis(4-cyanophenyl)-3,6-diphenylphenyl]benzonitrile
CID 176917660
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile?
The IUPAC name of 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile (CID 91739124) is 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile.
What is the SMILES notation for 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile?
The canonical SMILES for 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile is N#Cc1cc2[nH]c(N)c(-c3ccccc3)c2cc1C#N.
What is the InChIKey of 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile?
The InChIKey is NDFXGNYZYWQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c17-8-11-6-13-14(7-12(11)9-18)20-16(19)15(13)10-4-2-1-3-5-10/h1-7,20H,19H2.
What are the key properties of 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile?
2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile is sourced from PubChem (CID 91739124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).