3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile

C60H32N6 — CID 118051776

IUPAC3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4c5ccccc5ccc43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H32N6/c61-33-37-17-23-42(24-18-37)54-49(36-64)55(43-25-19-38(34-62)20-26-43)60(66-51-16-8-6-14-48(51)58-46-12-4-2-10-41(46)30-32-53(58)66)56(44-27-21-39(35-63)22-28-44)59(54)65-50-15-7-5-13-47(50)57-45-11-3-1-9-40(45)29-31-52(57)65/h1-32H
InChIKeySBEINTFGGXRMCT-UHFFFAOYSA-N
MW836.96 g/mol
LogP14.67
Rot. Bonds5

About 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile

3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile (PubChem CID 118051776) has the molecular formula C60H32N6 and a molecular weight of 836.96 g/mol. Its IUPAC name is 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile
PubChem CID118051776
Molecular FormulaC60H32N6
Molecular Weight836.96 g/mol
Exact Mass836.27
IUPAC Name3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4c5ccccc5ccc43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H32N6/c61-33-37-17-23-42(24-18-37)54-49(36-64)55(43-25-19-38(34-62)20-26-43)60(66-51-16-8-6-14-48(51)58-46-12-4-2-10-41(46)30-32-53(58)66)56(44-27-21-39(35-63)22-28-44)59(54)65-50-15-7-5-13-47(50)57-45-11-3-1-9-40(45)29-31-52(57)65/h1-32H
InChIKeySBEINTFGGXRMCT-UHFFFAOYSA-N
XLogP14.67
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.96
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)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

2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 121303132
2,3,5,6-tetrakis(benzo[a]carbazol-11-yl)-4-(4-cyanophenyl)benzonitrile
CID 121303127
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4,6-di(carbazol-9-yl)-2-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 146562295
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile?
The IUPAC name of 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile (CID 118051776) is 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile.
What is the SMILES notation for 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile?
The canonical SMILES for 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile is N#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4c5ccccc5ccc43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile?
The InChIKey is SBEINTFGGXRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32N6/c61-33-37-17-23-42(24-18-37)54-49(36-64)55(43-25-19-38(34-62)20-26-43)60(66-51-16-8-6-14-48(51)58-46-12-4-2-10-41(46)30-32-53(58)66)56(44-27-21-39(35-63)22-28-44)59(54)65-50-15-7-5-13-47(50)57-45-11-3-1-9-40(45)29-31-52(57)65/h1-32H.
What are the key properties of 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile?
3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile has a molecular weight of 836.96 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile is sourced from PubChem (CID 118051776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).