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

C150H87N15 — CID 158231899

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

2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 158231899) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 158231899
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• SMILES: [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1[N+]#[C-]
• InChI: InChI=1S/3C50H29N5/c1-51-33-24-27-48-40(30-33)38-16-6-12-22-47(38)55(48)50-26-23-32(29-42(50)52-2)35-13-3-8-18-43(35)54-46-21-11-7-17-39(46)41-31-34(25-28-49(41)54)53-44-19-9-4-14-36(44)37-15-5-10-20-45(37)53;1-51-33-24-28-47-40(30-33)38-14-5-9-19-45(38)53(47)34-25-22-32(23-26-34)50-42(52-2)16-11-21-49(50)55-46-20-10-6-15-39(46)41-31-35(27-29-48(41)55)54-43-17-7-3-12-36(43)37-13-4-8-18-44(37)54;1-52-33-22-26-49-42(29-33)40-15-5-9-19-46(40)53(49)34-23-25-36(32(28-34)31-51)37-12-2-10-20-47(37)55-48-21-11-6-16-41(48)43-30-35(24-27-50(43)55)54-44-17-7-3-13-38(44)39-14-4-8-18-45(39)54/h2*3-31H;2-30H
• InChIKey: GEMAEQUJDCIXKO-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-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?

The IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 158231899) is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1[N+]#[C-].

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

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

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

2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-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-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158231899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).