3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile

C203H113N23 — CID 159502999

About 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile

3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile (PubChem CID 159502999) has the molecular formula C203H113N23 and a molecular weight of 2874.30 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
• PubChem CID: 159502999
• Molecular Formula: C203H113N23
• Molecular Weight: 2874.30 g/mol
• Exact Mass: 2871.95
• IUPAC Name: 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccc([N+]#[C-])cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc(C#N)ccc65)cc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
• InChI: InChI=1S/3C51H28N6.C50H29N5/c1-53-35-19-22-50-45(29-35)43-14-6-10-18-49(43)56(50)39-27-34(25-36(28-39)54-2)33-23-32(31-52)24-38(26-33)57-48-17-9-5-13-42(48)44-21-20-37(30-51(44)57)55-46-15-7-3-11-40(46)41-12-4-8-16-47(41)55;1-53-35-19-22-50-45(29-35)44-21-20-37(55-46-15-7-3-11-40(46)41-12-4-8-16-47(41)55)30-51(44)57(50)38-24-32(31-52)23-33(26-38)34-25-36(54-2)28-39(27-34)56-48-17-9-5-13-42(48)43-14-6-10-18-49(43)56;1-54-36-25-35(27-39(28-36)56-46-14-6-2-10-40(46)41-11-3-7-15-47(41)56)34-22-33(31-53)23-38(26-34)57-48-16-8-4-12-42(48)44-20-19-37(29-51(44)57)55-49-17-9-5-13-43(49)45-24-32(30-52)18-21-50(45)55;51-30-32-20-23-49-44(26-32)42-15-4-8-19-48(42)54(49)37-21-22-43-41-14-3-7-18-47(41)55(50(43)29-37)38-25-33(31-52)24-35(28-38)34-10-9-11-36(27-34)53-45-16-5-1-12-39(45)40-13-2-6-17-46(40)53/h2*3-30H;2-29H;1-29H
• InChIKey: LZPZCBKRMZBRFP-UHFFFAOYSA-N
• XLogP: 52.56
• TPSA: 223.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2874.30
LogP ≤ 5	52.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile?

The IUPAC name of 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile (CID 159502999) is 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile?

The canonical SMILES for 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile is N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccc([N+]#[C-])cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc(C#N)ccc65)cc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.

What is the InChIKey of 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile?

The InChIKey is LZPZCBKRMZBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H28N6.C50H29N5/c1-53-35-19-22-50-45(29-35)43-14-6-10-18-49(43)56(50)39-27-34(25-36(28-39)54-2)33-23-32(31-52)24-38(26-33)57-48-17-9-5-13-42(48)44-21-20-37(30-51(44)57)55-46-15-7-3-11-40(46)41-12-4-8-16-47(41)55;1-53-35-19-22-50-45(29-35)44-21-20-37(55-46-15-7-3-11-40(46)41-12-4-8-16-47(41)55)30-51(44)57(50)38-24-32(31-52)23-33(26-38)34-25-36(54-2)28-39(27-34)56-48-17-9-5-13-42(48)43-14-6-10-18-49(43)56;1-54-36-25-35(27-39(28-36)56-46-14-6-2-10-40(46)41-11-3-7-15-47(41)56)34-22-33(31-53)23-38(26-34)57-48-16-8-4-12-42(48)44-20-19-37(29-51(44)57)55-49-17-9-5-13-43(49)45-24-32(30-52)18-21-50(45)55;51-30-32-20-23-49-44(26-32)42-15-4-8-19-48(42)54(49)37-21-22-43-41-14-3-7-18-47(41)55(50(43)29-37)38-25-33(31-52)24-35(28-38)34-10-9-11-36(27-34)53-45-16-5-1-12-39(45)40-13-2-6-17-46(40)53/h2*3-30H;2-29H;1-29H.

What are the key properties of 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile?

3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile has a molecular weight of 2874.30 g/mol, XLogP of 52.56, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 159502999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).