9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

C135H75N15 — CID 158035726

About 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile

9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 158035726) has the molecular formula C135H75N15 and a molecular weight of 1907.19 g/mol. Its IUPAC name is 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 158035726
• Molecular Formula: C135H75N15
• Molecular Weight: 1907.19 g/mol
• Exact Mass: 1905.63
• IUPAC Name: 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4c(C#N)cccc43)cc2)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2c(C#N)cccc2-n2c3ccccc3c3cccc(C#N)c32)cc1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)c2c1
• InChI: InChI=1S/3C45H25N5/c1-48-32-20-23-37-35-11-4-7-15-41(35)50(44(37)26-32)43-16-8-9-31(28-47)45(43)38-13-3-2-10-34(38)30-18-21-33(22-19-30)49-40-14-6-5-12-36(40)39-25-29(27-46)17-24-42(39)49;46-26-29-19-24-42-39(25-29)36-13-4-5-16-40(36)49(42)33-22-20-30(21-23-33)34-11-1-2-14-37(34)44-31(27-47)9-8-18-43(44)50-41-17-6-3-12-35(41)38-15-7-10-32(28-48)45(38)50;46-26-29-16-22-42(50-40-13-5-3-11-36(40)37-12-4-6-14-41(37)50)38(24-29)35-10-2-1-9-34(35)31-18-20-33(21-19-31)49-43-23-17-30(27-47)25-39(43)45-32(28-48)8-7-15-44(45)49/h2-26H;2*1-25H
• InChIKey: FHSKTSBJRPZGSW-UHFFFAOYSA-N
• XLogP: 33.17
• TPSA: 224.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.19
LogP ≤ 5	33.17
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 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 158035726) is 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4c(C#N)cccc43)cc2)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2c(C#N)cccc2-n2c3ccccc3c3cccc(C#N)c32)cc1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccccc3-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3)c2c1.

What is the InChIKey of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

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

What are the key properties of 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 1907.19 g/mol, XLogP of 33.17, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[3-cyano-2-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-[2-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158035726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).