9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile

C169H103N17 — CID 159495222

About 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile

9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile (PubChem CID 159495222) has the molecular formula C169H103N17 and a molecular weight of 2371.80 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
• PubChem CID: 159495222
• Molecular Formula: C169H103N17
• Molecular Weight: 2371.80 g/mol
• Exact Mass: 2369.86
• IUPAC Name: 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/C43H25N5.3C42H26N4/c1-45-37-17-6-2-13-32(37)30-12-10-11-29(24-30)31-25-42(47-38-18-7-3-14-33(38)34-15-4-8-19-39(34)47)46-43(26-31)48-40-20-9-5-16-35(40)36-23-28(27-44)21-22-41(36)48;1-43-36-20-7-2-15-31(36)29-14-12-13-28(25-29)30-26-41(45-37-21-8-3-16-32(37)33-17-4-9-22-38(33)45)44-42(27-30)46-39-23-10-5-18-34(39)35-19-6-11-24-40(35)46;43-27-28-11-9-12-29(23-28)30-13-10-14-31(24-30)32-25-41(45-37-19-5-1-15-33(37)34-16-2-6-20-38(34)45)44-42(26-32)46-39-21-7-3-17-35(39)36-18-4-8-22-40(36)46;43-27-28-20-22-29(23-21-28)30-10-9-11-31(24-30)32-25-41(45-37-16-5-1-12-33(37)34-13-2-6-17-38(34)45)44-42(26-32)46-39-18-7-3-14-35(39)36-15-4-8-19-40(36)46/h2-26H;2-27H;2*1-26H
• InChIKey: LYRSTGKFIGXFNS-UHFFFAOYSA-N
• XLogP: 43.16
• TPSA: 171.09 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.80
LogP ≤ 5	43.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?

The IUPAC name of 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile (CID 159495222) is 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile.

What is the SMILES notation for 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?

The canonical SMILES for 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1.

What is the InChIKey of 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?

The InChIKey is LYRSTGKFIGXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5.3C42H26N4/c1-45-37-17-6-2-13-32(37)30-12-10-11-29(24-30)31-25-42(47-38-18-7-3-14-33(38)34-15-4-8-19-39(34)47)46-43(26-31)48-40-20-9-5-16-35(40)36-23-28(27-44)21-22-41(36)48;1-43-36-20-7-2-15-31(36)29-14-12-13-28(25-29)30-26-41(45-37-21-8-3-16-32(37)33-17-4-9-22-38(33)45)44-42(27-30)46-39-23-10-5-18-34(39)35-19-6-11-24-40(35)46;43-27-28-11-9-12-29(23-28)30-13-10-14-31(24-30)32-25-41(45-37-19-5-1-15-33(37)34-16-2-6-20-38(34)45)44-42(26-32)46-39-21-7-3-17-35(39)36-18-4-8-22-40(36)46;43-27-28-20-22-29(23-21-28)30-10-9-11-31(24-30)32-25-41(45-37-16-5-1-12-33(37)34-13-2-6-17-38(34)45)44-42(26-32)46-39-18-7-3-14-35(39)36-15-4-8-19-40(36)46/h2-26H;2-27H;2*1-26H.

What are the key properties of 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile?

9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile has a molecular weight of 2371.80 g/mol, XLogP of 43.16, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile;3-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile;4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 159495222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).