9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

C180H100N20 — CID 162072529

About 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 162072529) has the molecular formula C180H100N20 and a molecular weight of 2542.92 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 162072529
• Molecular Formula: C180H100N20
• Molecular Weight: 2542.92 g/mol
• Exact Mass: 2540.84
• IUPAC Name: 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: [C-]#[N+]c1cc(-c2ccccc2-c2ccccc2-n2c3ccc(C#N)cc3c3cccc(C#N)c32)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc([N+]#[C-])c(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c3)c2c1
• InChI: InChI=1S/4C45H25N5/c1-47-30-20-22-37-35-14-6-8-16-41(35)49(45(37)26-30)31-21-23-40(48-2)38(27-31)33-12-4-3-11-32(33)34-13-5-9-17-42(34)50-43-18-10-7-15-36(43)39-25-29(28-46)19-24-44(39)50;1-48-32-24-31(25-33(26-32)49-41-18-7-5-15-37(41)38-16-6-8-19-42(38)49)34-12-2-3-13-35(34)36-14-4-9-20-43(36)50-44-22-21-29(27-46)23-40(44)39-17-10-11-30(28-47)45(39)50;1-48-40-21-20-31(49-41-15-7-5-13-35(41)38-24-29(27-46)18-22-44(38)49)26-37(40)33-11-3-2-10-32(33)34-12-4-8-16-42(34)50-43-17-9-6-14-36(43)39-25-30(28-47)19-23-45(39)50;1-48-39-23-22-31(49-42-19-9-6-16-36(42)45-30(28-47)11-10-20-44(45)49)26-37(39)33-13-3-2-12-32(33)34-14-4-7-17-40(34)50-41-18-8-5-15-35(41)38-25-29(27-46)21-24-43(38)50/h3-27H;3*2-26H
• InChIKey: ZBGXLMYCQSHKNM-UHFFFAOYSA-N
• XLogP: 46.71
• TPSA: 227.77 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.92
LogP ≤ 5	46.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 162072529) is 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is [C-]#[N+]c1cc(-c2ccccc2-c2ccccc2-n2c3ccc(C#N)cc3c3cccc(C#N)c32)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc([N+]#[C-])c(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c3)c2c1.

What is the InChIKey of 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is ZBGXLMYCQSHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H25N5/c1-47-30-20-22-37-35-14-6-8-16-41(35)49(45(37)26-30)31-21-23-40(48-2)38(27-31)33-12-4-3-11-32(33)34-13-5-9-17-42(34)50-43-18-10-7-15-36(43)39-25-29(28-46)19-24-44(39)50;1-48-32-24-31(25-33(26-32)49-41-18-7-5-15-37(41)38-16-6-8-19-42(38)49)34-12-2-3-13-35(34)36-14-4-9-20-43(36)50-44-22-21-29(27-46)23-40(44)39-17-10-11-30(28-47)45(39)50;1-48-40-21-20-31(49-41-15-7-5-13-35(41)38-24-29(27-46)18-22-44(38)49)26-37(40)33-11-3-2-10-32(33)34-12-4-8-16-42(34)50-43-17-9-6-14-36(43)39-25-30(28-47)19-23-45(39)50;1-48-39-23-22-31(49-42-19-9-6-16-36(42)45-30(28-47)11-10-20-44(45)49)26-37(39)33-13-3-2-12-32(33)34-14-4-7-17-40(34)50-41-18-8-5-15-35(41)38-25-29(27-46)21-24-43(38)50/h3-27H;3*2-26H.

What are the key properties of 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 2542.92 g/mol, XLogP of 46.71, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 162072529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).