3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile

C60H36N6 — CID 155446842

IUPAC3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C60H36N6/c61-37-39-16-14-22-43(32-39)50-34-45(53-36-52(41-18-4-1-5-19-41)63-60(64-53)42-20-6-2-7-21-42)35-51(44-23-15-17-40(33-44)38-62)58(50)66-55-29-13-11-27-49(55)57-56(66)31-30-48-47-26-10-12-28-54(47)65(59(48)57)46-24-8-3-9-25-46/h1-36H
InChIKeyYORMRIUBSNFEMS-UHFFFAOYSA-N
MW840.99 g/mol
LogP14.75
Rot. Bonds7

About 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile

3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile (PubChem CID 155446842) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
PubChem CID155446842
Molecular FormulaC60H36N6
Molecular Weight840.99 g/mol
Exact Mass840.30
IUPAC Name3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C60H36N6/c61-37-39-16-14-22-43(32-39)50-34-45(53-36-52(41-18-4-1-5-19-41)63-60(64-53)42-20-6-2-7-21-42)35-51(44-23-15-17-40(33-44)38-62)58(50)66-55-29-13-11-27-49(55)57-56(66)31-30-48-47-26-10-12-28-54(47)65(59(48)57)46-24-8-3-9-25-46/h1-36H
InChIKeyYORMRIUBSNFEMS-UHFFFAOYSA-N
XLogP14.75
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.99
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]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

5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
5-[3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155447467
4-[5-(2,6-diphenylpyrimidin-4-yl)-3-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155656596
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670829
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146281051
3-[9-[2,6-bis(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155446815
4-[4-[5-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664741
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 170268524
5-[7-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-12-phenylindolo[3,2-c]carbazole;9-phenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-2-carbonitrile
CID 160551737

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile (CID 155446842) is 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The InChIKey is YORMRIUBSNFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c61-37-39-16-14-22-43(32-39)50-34-45(53-36-52(41-18-4-1-5-19-41)63-60(64-53)42-20-6-2-7-21-42)35-51(44-23-15-17-40(33-44)38-62)58(50)66-55-29-13-11-27-49(55)57-56(66)31-30-48-47-26-10-12-28-54(47)65(59(48)57)46-24-8-3-9-25-46/h1-36H.
What are the key properties of 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile has a molecular weight of 840.99 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 155446842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).