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

C172H108N12 — CID 157338553

IUPAC3-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
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/4C43H27N3/c1-44-38-27-24-30(29-22-25-31(26-23-29)45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)28-37(38)36-16-6-11-21-43(36)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46;44-28-29-25-31(30-21-23-33(24-22-30)45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)27-32(26-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46;44-28-31-22-21-30(33-11-1-6-16-39(33)46-42-19-9-4-14-36(42)37-15-5-10-20-43(37)46)27-38(31)29-23-25-32(26-24-29)45-40-17-7-2-12-34(40)35-13-3-8-18-41(35)45;44-28-32-13-10-22-42(46-40-20-7-3-16-36(40)37-17-4-8-21-41(37)46)43(32)31-12-9-11-30(27-31)29-23-25-33(26-24-29)45-38-18-5-1-14-34(38)35-15-2-6-19-39(35)45/h2-28H;3*1-27H
InChIKeyBGCYBMISMPCAAH-UHFFFAOYSA-N
MW2342.84 g/mol
LogP45.03
Rot. Bonds16

About 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

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 (PubChem CID 157338553) has the molecular formula C172H108N12 and a molecular weight of 2342.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157338553
Molecular FormulaC172H108N12
Molecular Weight2342.84 g/mol
Exact Mass2340.88
IUPAC Name3-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
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/4C43H27N3/c1-44-38-27-24-30(29-22-25-31(26-23-29)45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)28-37(38)36-16-6-11-21-43(36)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46;44-28-29-25-31(30-21-23-33(24-22-30)45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)27-32(26-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46;44-28-31-22-21-30(33-11-1-6-16-39(33)46-42-19-9-4-14-36(42)37-15-5-10-20-43(37)46)27-38(31)29-23-25-32(26-24-29)45-40-17-7-2-12-34(40)35-13-3-8-18-41(35)45;44-28-32-13-10-22-42(46-40-20-7-3-16-36(40)37-17-4-8-21-41(37)46)43(32)31-12-9-11-30(27-31)29-23-25-33(26-24-29)45-38-18-5-1-14-34(38)35-15-2-6-19-39(35)45/h2-28H;3*1-27H
InChIKeyBGCYBMISMPCAAH-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-[4-cyano-3-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
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9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
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2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
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9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
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9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
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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
2-carbazol-9-yl-3-[4-cyano-3-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,2-dicarbonitrile;3-(2-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)benzonitrile;9-[2-cyano-6-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 165003902
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
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile;9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylphenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 159514053
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is BGCYBMISMPCAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C43H27N3/c1-44-38-27-24-30(29-22-25-31(26-23-29)45-39-17-7-2-12-32(39)33-13-3-8-18-40(33)45)28-37(38)36-16-6-11-21-43(36)46-41-19-9-4-14-34(41)35-15-5-10-20-42(35)46;44-28-29-25-31(30-21-23-33(24-22-30)45-40-17-7-2-12-35(40)36-13-3-8-18-41(36)45)27-32(26-29)34-11-1-6-16-39(34)46-42-19-9-4-14-37(42)38-15-5-10-20-43(38)46;44-28-31-22-21-30(33-11-1-6-16-39(33)46-42-19-9-4-14-36(42)37-15-5-10-20-43(37)46)27-38(31)29-23-25-32(26-24-29)45-40-17-7-2-12-34(40)35-13-3-8-18-41(35)45;44-28-32-13-10-22-42(46-40-20-7-3-16-36(40)37-17-4-8-21-41(37)46)43(32)31-12-9-11-30(27-31)29-23-25-33(26-24-29)45-38-18-5-1-14-34(38)35-15-2-6-19-39(35)45/h2-28H;3*1-27H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 157338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).