9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole

C150H87N15 — CID 157463468

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

9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole (PubChem CID 157463468) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole.

Molecular Properties

• Compound Name: 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole
• PubChem CID: 157463468
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole
• SMILES: N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccc([N+]#[C-])cc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/3C50H29N5/c1-51-33-26-27-47-41(31-33)50-48(24-13-25-49(50)55-45-22-11-6-17-39(45)40-18-7-12-23-46(40)55)54(47)42-19-8-3-14-36(42)32-28-34(52-2)30-35(29-32)53-43-20-9-4-15-37(43)38-16-5-10-21-44(38)53;51-30-33-14-10-21-36(32-13-9-16-35(29-32)53-42-23-5-3-19-39(42)40-22-11-15-34(31-52)50(40)53)49(33)55-45-26-8-4-20-41(45)48-46(27-12-28-47(48)55)54-43-24-6-1-17-37(43)38-18-2-7-25-44(38)54;51-30-32-26-27-36(33-12-9-14-35(29-33)53-42-20-5-3-17-39(42)40-19-10-13-34(31-52)50(40)53)48(28-32)55-45-23-8-4-18-41(45)49-46(24-11-25-47(49)55)54-43-21-6-1-15-37(43)38-16-2-7-22-44(38)54/h3-31H;2*1-29H
• InChIKey: BUEUKUZLIFYCCL-UHFFFAOYSA-N
• XLogP: 38.52
• TPSA: 148.25 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.45
LogP ≤ 5	38.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole (CID 157463468) is 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole.

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

The canonical SMILES for 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole is N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)c1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccc([N+]#[C-])cc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccccc32)c1.

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

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

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

9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole has a molecular weight of 2099.45 g/mol, XLogP of 38.52, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile;9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile;5-carbazol-9-yl-9-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-3-isocyanocarbazole is sourced from PubChem (CID 157463468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).