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

C200H116N20 — CID 158470563

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

2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 158470563) has the molecular formula C200H116N20 and a molecular weight of 2799.27 g/mol. Its IUPAC name is 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 158470563
• Molecular Formula: C200H116N20
• Molecular Weight: 2799.27 g/mol
• Exact Mass: 2796.97
• IUPAC Name: 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• SMILES: [C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
• InChI: InChI=1S/4C50H29N5/c1-51-32-29-30-45-38(31-32)35-17-5-10-23-42(35)53(45)43-24-11-6-18-36(43)49-39(52-2)20-13-26-46(49)55-44-25-12-7-19-37(44)50-47(27-14-28-48(50)55)54-40-21-8-3-15-33(40)34-16-4-9-22-41(34)54;1-51-32-27-29-46-40(30-32)37-17-6-11-22-44(37)55(46)49-31-33(52-2)26-28-38(49)36-16-5-10-21-43(36)54-45-23-12-7-18-39(45)50-47(24-13-25-48(50)54)53-41-19-8-3-14-34(41)35-15-4-9-20-42(35)53;1-52-33-26-28-47-40(30-33)37-16-5-9-20-43(37)53(47)46-27-25-32(31-51)29-39(46)36-15-4-10-21-44(36)55-45-22-11-6-17-38(45)50-48(23-12-24-49(50)55)54-41-18-7-2-13-34(41)35-14-3-8-19-42(35)54;1-52-33-28-29-45-39(30-33)36-17-4-9-22-42(36)54(45)46-25-12-14-32(31-51)49(46)37-18-5-10-23-43(37)55-44-24-11-6-19-38(44)50-47(26-13-27-48(50)55)53-40-20-7-2-15-34(40)35-16-3-8-21-41(35)53/h2*3-31H;2*2-30H
• InChIKey: HGHJVFFEJXIQII-UHFFFAOYSA-N
• XLogP: 53.63
• TPSA: 132.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.27
LogP ≤ 5	53.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 158470563) is 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.

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

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

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

2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 2799.27 g/mol, XLogP of 53.63, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158470563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).