4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile

C33H24N4 — CID 70889128

IUPAC4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
SMILESCC(C)(c1cn(-c2ccc(C#N)cc2)c2ccccc12)c1cn(-c2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C33H24N4/c1-33(2,29-21-36(31-9-5-3-7-27(29)31)25-15-11-23(19-34)12-16-25)30-22-37(32-10-6-4-8-28(30)32)26-17-13-24(20-35)14-18-26/h3-18,21-22H,1-2H3
InChIKeyIPYBXMTZYMUWGG-UHFFFAOYSA-N
MW476.58 g/mol
LogP7.64
Rot. Bonds4

About 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile

4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile (PubChem CID 70889128) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
PubChem CID70889128
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
SMILESCC(C)(c1cn(-c2ccc(C#N)cc2)c2ccccc12)c1cn(-c2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C33H24N4/c1-33(2,29-21-36(31-9-5-3-7-27(29)31)25-15-11-23(19-34)12-16-25)30-22-37(32-10-6-4-8-28(30)32)26-17-13-24(20-35)14-18-26/h3-18,21-22H,1-2H3
InChIKeyIPYBXMTZYMUWGG-UHFFFAOYSA-N
XLogP7.64
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile 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-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
CID 59307652
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole
CID 59307646
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-(3-methylbenzimidazol-3-ium-1-yl)benzonitrile
CID 86626225
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[1-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 145345165
1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole
CID 101473810
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile?
The IUPAC name of 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile (CID 70889128) is 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile?
The canonical SMILES for 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile is CC(C)(c1cn(-c2ccc(C#N)cc2)c2ccccc12)c1cn(-c2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile?
The InChIKey is IPYBXMTZYMUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-33(2,29-21-36(31-9-5-3-7-27(29)31)25-15-11-23(19-34)12-16-25)30-22-37(32-10-6-4-8-28(30)32)26-17-13-24(20-35)14-18-26/h3-18,21-22H,1-2H3.
What are the key properties of 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile?
4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile has a molecular weight of 476.58 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile is sourced from PubChem (CID 70889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).