9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

C135H75N15 — CID 157390593

About 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 157390593) has the molecular formula C135H75N15 and a molecular weight of 1907.19 g/mol. Its IUPAC name is 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 157390593
• Molecular Formula: C135H75N15
• Molecular Weight: 1907.19 g/mol
• Exact Mass: 1905.63
• IUPAC Name: 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1ccccc1-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C#N.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c(C#N)c3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c(C#N)c3)c12
• InChI: InChI=1S/3C45H25N5/c1-48-40-17-10-16-38-36-14-5-7-18-41(36)49(45(38)40)31-22-23-32(30(26-31)28-47)33-11-2-3-12-34(33)35-13-4-8-19-42(35)50-43-20-9-6-15-37(43)39-25-29(27-46)21-24-44(39)50;1-48-31-19-21-39-37-13-5-7-15-41(37)49(45(39)26-31)32-20-22-33(30(25-32)28-47)34-10-2-3-11-35(34)36-12-4-8-16-42(36)50-43-17-9-6-14-38(43)40-24-29(27-46)18-23-44(40)50;46-26-29-20-23-43-39(24-29)45-30(27-47)10-9-19-44(45)50(43)42-18-8-3-13-36(42)35-12-2-1-11-34(35)33-22-21-32(25-31(33)28-48)49-40-16-6-4-14-37(40)38-15-5-7-17-41(38)49/h2*2-26H;1-25H
• InChIKey: BLYNGIMWTGRXCF-UHFFFAOYSA-N
• XLogP: 33.85
• TPSA: 204.83 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.19
LogP ≤ 5	33.85
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-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 157390593) is 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1ccccc1-c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C#N.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c(C#N)c3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)c(C#N)c3)c12.

What is the InChIKey of 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is BLYNGIMWTGRXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H25N5/c1-48-40-17-10-16-38-36-14-5-7-18-41(36)49(45(38)40)31-22-23-32(30(26-31)28-47)33-11-2-3-12-34(33)35-13-4-8-19-42(35)50-43-20-9-6-15-37(43)39-25-29(27-46)21-24-44(39)50;1-48-31-19-21-39-37-13-5-7-15-41(37)49(45(39)26-31)32-20-22-33(30(25-32)28-47)34-10-2-3-11-35(34)36-12-4-8-16-42(36)50-43-17-9-6-14-38(43)40-24-29(27-46)18-23-44(40)50;46-26-29-20-23-43-39(24-29)45-30(27-47)10-9-19-44(45)50(43)42-18-8-3-13-36(42)35-12-2-1-11-34(35)33-22-21-32(25-31(33)28-48)49-40-16-6-4-14-37(40)38-15-5-7-17-41(38)49/h2*2-26H;1-25H.

What are the key properties of 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 1907.19 g/mol, XLogP of 33.85, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[2-cyano-4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[2-cyano-4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 157390593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).