2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile

C150H87N15 — CID 160800500

About 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile

2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 160800500) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile
• PubChem CID: 160800500
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccc(C#N)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(C#N)c3)c12
• InChI: InChI=1S/3C50H29N5/c1-52-42-19-12-18-41-39-17-6-11-24-48(39)55(50(41)42)44-20-7-2-13-35(44)32-25-28-43(33(29-32)31-51)54-47-23-10-5-16-38(47)40-27-26-34(30-49(40)54)53-45-21-8-3-14-36(45)37-15-4-9-22-46(37)53;1-52-43-16-10-15-36(50(43)55-46-19-8-4-13-39(46)40-14-5-9-20-47(40)55)33-22-24-34(25-23-33)53-48-28-21-32(31-51)29-42(48)41-27-26-35(30-49(41)53)54-44-17-6-2-11-37(44)38-12-3-7-18-45(38)54;1-52-34-21-25-37(49(29-34)55-46-16-8-4-12-40(46)41-13-5-9-17-47(41)55)33-19-22-35(23-20-33)53-48-27-18-32(31-51)28-43(48)42-26-24-36(30-50(42)53)54-44-14-6-2-10-38(44)39-11-3-7-15-45(39)54/h3*2-30H
• InChIKey: SCZWYWDNLSPSHN-UHFFFAOYSA-N
• XLogP: 39.20
• TPSA: 128.82 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.45
LogP ≤ 5	39.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile?

The IUPAC name of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile (CID 160800500) is 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccc(C#N)cc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(C#N)c3)c12.

What is the InChIKey of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile?

The InChIKey is SCZWYWDNLSPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H29N5/c1-52-42-19-12-18-41-39-17-6-11-24-48(39)55(50(41)42)44-20-7-2-13-35(44)32-25-28-43(33(29-32)31-51)54-47-23-10-5-16-38(47)40-27-26-34(30-49(40)54)53-45-21-8-3-14-36(45)37-15-4-9-22-46(37)53;1-52-43-16-10-15-36(50(43)55-46-19-8-4-13-39(46)40-14-5-9-20-47(40)55)33-22-24-34(25-23-33)53-48-28-21-32(31-51)29-42(48)41-27-26-35(30-49(41)53)54-44-17-6-2-11-37(44)38-12-3-7-18-45(38)54;1-52-34-21-25-37(49(29-34)55-46-16-8-4-12-40(46)41-13-5-9-17-47(41)55)33-19-22-35(23-20-33)53-48-27-18-32(31-51)28-43(48)42-26-24-36(30-50(42)53)54-44-14-6-2-10-38(44)39-11-3-7-15-45(39)54/h3*2-30H.

What are the key properties of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile?

2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 2099.45 g/mol, XLogP of 39.20, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]carbazole-3-carbonitrile;7-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 160800500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).