2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C180H105N17 — CID 159146349

IUPAC2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3cccc(-c4ccccc4)c3)c2c1.N#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.N#Cc1ccccc1-c1cccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(C#N)c1-c1cc2c(cc1-c1ccccc1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/3C38H23N3.2C33H18N4/c1-40-35-19-11-16-29(25-39)38(35)34-24-37-33(23-31(34)27-14-7-3-8-15-27)32-22-28(26-12-5-2-6-13-26)20-21-36(32)41(37)30-17-9-4-10-18-30;39-24-31-14-7-15-32(25-40)38(31)30-17-19-34-35-22-29(27-11-5-2-6-12-27)18-20-36(35)41(37(34)23-30)33-16-8-13-28(21-33)26-9-3-1-4-10-26;39-24-29-14-9-15-30(25-40)38(29)28-18-19-35-34-16-7-8-17-36(34)41(37(35)23-28)33-21-31(26-10-3-1-4-11-26)20-32(22-33)27-12-5-2-6-13-27;1-36-30-13-6-5-12-27(30)22-14-16-28-29-17-15-23(33-24(20-34)8-7-9-25(33)21-35)19-32(29)37(31(28)18-22)26-10-3-2-4-11-26;34-19-23-8-4-5-13-27(23)29-14-7-15-30-28-17-16-22(32-24(20-35)9-6-10-25(32)21-36)18-31(28)37(33(29)30)26-11-2-1-3-12-26/h2-24H;2*1-23H;2-19H;1-18H
InChIKeyKISPEEGVVHIXNQ-UHFFFAOYSA-N
MW2505.94 g/mol
LogP45.41
Rot. Bonds18

About 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 159146349) has the molecular formula C180H105N17 and a molecular weight of 2505.94 g/mol. Its IUPAC name is 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID159146349
Molecular FormulaC180H105N17
Molecular Weight2505.94 g/mol
Exact Mass2503.87
IUPAC Name2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3cccc(-c4ccccc4)c3)c2c1.N#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.N#Cc1ccccc1-c1cccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(C#N)c1-c1cc2c(cc1-c1ccccc1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/3C38H23N3.2C33H18N4/c1-40-35-19-11-16-29(25-39)38(35)34-24-37-33(23-31(34)27-14-7-3-8-15-27)32-22-28(26-12-5-2-6-13-26)20-21-36(32)41(37)30-17-9-4-10-18-30;39-24-31-14-7-15-32(25-40)38(31)30-17-19-34-35-22-29(27-11-5-2-6-12-27)18-20-36(35)41(37(34)23-30)33-16-8-13-28(21-33)26-9-3-1-4-10-26;39-24-29-14-9-15-30(25-40)38(29)28-18-19-35-34-16-7-8-17-36(34)41(37(35)23-28)33-21-31(26-10-3-1-4-11-26)20-32(22-33)27-12-5-2-6-13-27;1-36-30-13-6-5-12-27(30)22-14-16-28-29-17-15-23(33-24(20-34)8-7-9-25(33)21-35)19-32(29)37(31(28)18-22)26-10-3-2-4-11-26;34-19-23-8-4-5-13-27(23)29-14-7-15-30-28-17-16-22(32-24(20-35)9-6-10-25(32)21-36)18-31(28)37(33(29)30)26-11-2-1-3-12-26/h2-24H;2*1-23H;2-19H;1-18H
InChIKeyKISPEEGVVHIXNQ-UHFFFAOYSA-N
XLogP45.41
TPSA271.27 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.94
LogP ≤ 545.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
2-[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140827120
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645720
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 161333811
2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 159146349) is 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c3cc(-c4ccccc4)ccc3n(-c3cccc(-c4ccccc4)c3)c2c1.N#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.N#Cc1ccccc1-c1cccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(C#N)c1-c1cc2c(cc1-c1ccccc1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4c(C#N)cccc4C#N)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is KISPEEGVVHIXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H23N3.2C33H18N4/c1-40-35-19-11-16-29(25-39)38(35)34-24-37-33(23-31(34)27-14-7-3-8-15-27)32-22-28(26-12-5-2-6-13-26)20-21-36(32)41(37)30-17-9-4-10-18-30;39-24-31-14-7-15-32(25-40)38(31)30-17-19-34-35-22-29(27-11-5-2-6-12-27)18-20-36(35)41(37(34)23-30)33-16-8-13-28(21-33)26-9-3-1-4-10-26;39-24-29-14-9-15-30(25-40)38(29)28-18-19-35-34-16-7-8-17-36(34)41(37(35)23-28)33-21-31(26-10-3-1-4-11-26)20-32(22-33)27-12-5-2-6-13-27;1-36-30-13-6-5-12-27(30)22-14-16-28-29-17-15-23(33-24(20-34)8-7-9-25(33)21-35)19-32(29)37(31(28)18-22)26-10-3-2-4-11-26;34-19-23-8-4-5-13-27(23)29-14-7-15-30-28-17-16-22(32-24(20-35)9-6-10-25(32)21-36)18-31(28)37(33(29)30)26-11-2-1-3-12-26/h2-24H;2*1-23H;2-19H;1-18H.
What are the key properties of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 2505.94 g/mol, XLogP of 45.41, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 159146349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).