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

C150H87N15 — CID 161332658

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

9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 161332658) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 161332658
• Molecular Formula: C150H87N15
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2097.73
• IUPAC Name: 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
• SMILES: N#Cc1cc(-n2c3ccccc3c3cccc(C#N)c32)ccc1-c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)ccc1-n1c2ccccc2c2cccc(C#N)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1-c1ccc(-n2c3ccccc3c3c([N+]#[C-])cccc32)cc1
• InChI: InChI=1S/3C50H29N5/c1-51-40-30-29-34(31-39(40)32-25-27-33(28-26-32)53-44-20-9-5-15-37(44)49-41(52-2)17-11-22-46(49)53)54-45-21-10-6-16-38(45)50-47(54)23-12-24-48(50)55-42-18-7-3-13-35(42)36-14-4-8-19-43(36)55;1-52-41-30-33(27-28-46(41)55-44-23-8-4-18-38(44)39-20-11-14-34(31-51)50(39)55)32-13-10-15-35(29-32)53-45-24-9-5-19-40(45)49-47(53)25-12-26-48(49)54-42-21-6-2-16-36(42)37-17-3-7-22-43(37)54;51-30-33-13-10-19-41-40-17-3-5-20-43(40)54(50(33)41)36-26-27-37(34(29-36)31-52)32-12-9-14-35(28-32)53-46-23-8-4-18-42(46)49-47(53)24-11-25-48(49)55-44-21-6-1-15-38(44)39-16-2-7-22-45(39)55/h3-31H;2-30H;1-29H
• InChIKey: VLPXTWJMTBFQAY-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 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 161332658) is 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is N#Cc1cc(-n2c3ccccc3c3cccc(C#N)c32)ccc1-c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)ccc1-n1c2ccccc2c2cccc(C#N)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1-c1ccc(-n2c3ccccc3c3c([N+]#[C-])cccc32)cc1.

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

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

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

9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole 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 9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 161332658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).