2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile

C150H87N15 — CID 159281399

About 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile

2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile (PubChem CID 159281399) 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-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
• PubChem CID: 159281399
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c(-n2c3ccccc3c3c(C#N)cccc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(C#N)c3)c2c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c1-n1c2ccccc2c2c(C#N)cccc21
• InChI: InChI=1S/3C50H29N5/c1-52-34-23-25-41-39-15-6-11-21-48(39)55(49(41)29-34)44-17-7-2-12-36(44)32-22-27-43(33(28-32)31-51)54-47-20-10-5-16-40(47)42-26-24-35(30-50(42)54)53-45-18-8-3-13-37(45)38-14-4-9-19-46(38)53;1-52-42-18-11-17-36(50(42)55-46-22-9-5-16-41(46)49-33(31-51)12-10-23-47(49)55)32-24-26-34(27-25-32)53-43-19-6-4-15-39(43)40-29-28-35(30-48(40)53)54-44-20-7-2-13-37(44)38-14-3-8-21-45(38)54;1-52-34-23-27-37(48(29-34)55-46-19-9-5-15-42(46)50-33(31-51)11-10-20-47(50)55)32-21-24-35(25-22-32)53-43-16-6-4-14-40(43)41-28-26-36(30-49(41)53)54-44-17-7-2-12-38(44)39-13-3-8-18-45(39)54/h3*2-30H
• InChIKey: KYYRSHZHBWPGFR-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-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?

The IUPAC name of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile (CID 159281399) is 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile.

What is the SMILES notation for 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?

The canonical SMILES for 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c(-n2c3ccccc3c3c(C#N)cccc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(C#N)c3)c2c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)c1-n1c2ccccc2c2c(C#N)cccc21.

What is the InChIKey of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?

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

What are the key properties of 2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?

2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-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-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 159281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).