2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole

C172H108N12 — CID 158343073

IUPAC2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/4C43H27N3/c1-44-39-24-23-32(45-40-19-9-5-15-34(40)35-16-6-10-20-41(35)45)28-38(39)31-25-30(29-13-3-2-4-14-29)26-33(27-31)46-42-21-11-7-17-36(42)37-18-8-12-22-43(37)46;44-28-38-37(30-15-12-16-32(25-30)45-39-21-8-4-17-33(39)34-18-5-9-22-40(34)45)26-31(29-13-2-1-3-14-29)27-43(38)46-41-23-10-6-19-35(41)36-20-7-11-24-42(36)46;44-28-39-37(29-13-2-1-3-14-29)26-32(46-42-23-10-6-19-35(42)36-20-7-11-24-43(36)46)27-38(39)30-15-12-16-31(25-30)45-40-21-8-4-17-33(40)34-18-5-9-22-41(34)45;44-28-29-22-31(25-34(23-29)45-40-18-8-4-14-36(40)37-15-5-9-19-41(37)45)33-24-32(30-12-2-1-3-13-30)26-35(27-33)46-42-20-10-6-16-38(42)39-17-7-11-21-43(39)46/h2-28H;3*1-27H
InChIKeyGRJVEKKCDBPBME-UHFFFAOYSA-N
MW2342.84 g/mol
LogP45.03
Rot. Bonds16

About 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole

2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole (PubChem CID 158343073) has the molecular formula C172H108N12 and a molecular weight of 2342.84 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole
PubChem CID158343073
Molecular FormulaC172H108N12
Molecular Weight2342.84 g/mol
Exact Mass2340.88
IUPAC Name2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/4C43H27N3/c1-44-39-24-23-32(45-40-19-9-5-15-34(40)35-16-6-10-20-41(35)45)28-38(39)31-25-30(29-13-3-2-4-14-29)26-33(27-31)46-42-21-11-7-17-36(42)37-18-8-12-22-43(37)46;44-28-38-37(30-15-12-16-32(25-30)45-39-21-8-4-17-33(39)34-18-5-9-22-40(34)45)26-31(29-13-2-1-3-14-29)27-43(38)46-41-23-10-6-19-35(41)36-20-7-11-24-42(36)46;44-28-39-37(29-13-2-1-3-14-29)26-32(46-42-23-10-6-19-35(42)36-20-7-11-24-43(36)46)27-38(39)30-15-12-16-31(25-30)45-40-21-8-4-17-33(40)34-18-5-9-22-41(34)45;44-28-29-22-31(25-34(23-29)45-40-18-8-4-14-36(40)37-15-5-9-19-41(37)45)33-24-32(30-12-2-1-3-13-30)26-35(27-33)46-42-20-10-6-16-38(42)39-17-7-11-21-43(39)46/h2-28H;3*1-27H
InChIKeyGRJVEKKCDBPBME-UHFFFAOYSA-N
XLogP45.03
TPSA115.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002342.84
LogP ≤ 545.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(3,6-diisocyanocarbazol-9-yl)-6-phenylbenzonitrile
CID 140822606
4-carbazol-9-yl-6-[3-(3-cyanocarbazol-9-yl)-5-phenylphenyl]benzene-1,3-dicarbonitrile;9-[3-(3-carbazol-9-yl-5-cyanophenyl)-2-cyano-5-phenylphenyl]carbazole-3-carbonitrile;9-[3-(5-carbazol-9-yl-2-cyanophenyl)-4-cyano-5-phenylphenyl]carbazole-3-carbonitrile;9-[3-(3-carbazol-9-yl-5-cyanophenyl)-4-cyano-5-phenylphenyl]carbazole-3,6-dicarbonitrile
CID 161414501
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 161355143
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
CID 155604969
9-[3-[2-cyano-5-(3-isocyanocarbazol-9-yl)-3-phenylphenyl]phenyl]carbazole-3-carbonitrile
CID 140822491
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile;9-[2-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]phenyl]carbazole-4-carbonitrile
CID 161181142
3-carbazol-9-yl-2-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(4-carbazol-9-ylphenyl)benzonitrile;9-[2-[5-(4-carbazol-9-ylphenyl)-2-isocyanophenyl]phenyl]carbazole
CID 157338553
3-carbazol-9-yl-5-[3-carbazol-9-yl-5-(3-cyanophenyl)phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]benzonitrile;2-carbazol-9-yl-4-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;2-carbazol-9-yl-6-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile
CID 164973443
3-carbazol-9-yl-5-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]benzonitrile
CID 155603562
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159299446

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole (CID 158343073) is 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole is N#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2)cc1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole?
The InChIKey is GRJVEKKCDBPBME-UHFFFAOYSA-N. The full InChI is InChI=1S/4C43H27N3/c1-44-39-24-23-32(45-40-19-9-5-15-34(40)35-16-6-10-20-41(35)45)28-38(39)31-25-30(29-13-3-2-4-14-29)26-33(27-31)46-42-21-11-7-17-36(42)37-18-8-12-22-43(37)46;44-28-38-37(30-15-12-16-32(25-30)45-39-21-8-4-17-33(39)34-18-5-9-22-40(34)45)26-31(29-13-2-1-3-14-29)27-43(38)46-41-23-10-6-19-35(41)36-20-7-11-24-42(36)46;44-28-39-37(29-13-2-1-3-14-29)26-32(46-42-23-10-6-19-35(42)36-20-7-11-24-43(36)46)27-38(39)30-15-12-16-31(25-30)45-40-21-8-4-17-33(40)34-18-5-9-22-41(34)45;44-28-29-22-31(25-34(23-29)45-40-18-8-4-14-36(40)37-15-5-9-19-41(37)45)33-24-32(30-12-2-1-3-13-30)26-35(27-33)46-42-20-10-6-16-38(42)39-17-7-11-21-43(39)46/h2-28H;3*1-27H.
What are the key properties of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole?
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole has a molecular weight of 2342.84 g/mol, XLogP of 45.03, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 158343073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).