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

C150H87N15 — CID 158806729

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

2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 158806729) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 158806729
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• SMILES: [C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc(-n2c3ccccc3c3ccc([N+]#[C-])cc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)ccc3[N+]#[C-])c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(C#N)c(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3)c2c1
• InChI: InChI=1S/3C50H29N5/c1-51-33-26-27-41-39-17-4-9-21-44(39)53(49(41)31-33)35-29-32(28-34(30-35)52-2)36-14-3-8-20-43(36)55-47-24-12-7-18-40(47)42-19-13-25-48(50(42)55)54-45-22-10-5-15-37(45)38-16-6-11-23-46(38)54;1-51-33-27-28-39-37-17-6-11-23-45(37)54(48(39)31-33)49-30-32(26-29-41(49)52-2)34-14-3-8-20-42(34)55-46-24-12-7-18-38(46)40-19-13-25-47(50(40)55)53-43-21-9-4-15-35(43)36-16-5-10-22-44(36)53;1-52-33-26-28-40-37-15-2-7-19-43(37)53(49(40)29-33)34-27-25-32(31-51)42(30-34)39-17-6-11-23-47(39)55-46-22-10-5-16-38(46)41-18-12-24-48(50(41)55)54-44-20-8-3-13-35(44)36-14-4-9-21-45(36)54/h2*3-31H;2-30H
• InChIKey: IUDYUQKPJSFPIT-UHFFFAOYSA-N
• XLogP: 40.56
• TPSA: 89.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2099.45
LogP ≤ 5	40.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 158806729) is 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc(-n2c3ccccc3c3ccc([N+]#[C-])cc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)ccc3[N+]#[C-])c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(C#N)c(-c4ccccc4-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)c3)c2c1.

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

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

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

2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 2099.45 g/mol, XLogP of 40.56, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158806729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).