2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole

C151H89N15 — CID 158720848

About 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole

2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole (PubChem CID 158720848) has the molecular formula C151H89N15 and a molecular weight of 2113.48 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole.

Molecular Properties

• Compound Name: 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole
• PubChem CID: 158720848
• Molecular Formula: C151H89N15
• Molecular Weight: 2113.48 g/mol
• Exact Mass: 2111.74
• IUPAC Name: 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole
• SMILES: [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c3ccccc3n(-c3ccc(C#N)cc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3[N+]#[C-])c2c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccc(-c4ccccc4-n4c5ccccc5c5cc([N+]#[C-])ccc54)cc32)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/3C38H22N4.C37H23N3/c1-39-26-20-22-36-31(24-26)29-13-5-9-17-35(29)41(36)33-15-7-3-11-27(33)25-19-21-30-28-12-4-8-16-34(28)42(38(30)23-25)37-18-10-6-14-32(37)40-2;1-39-26-10-9-11-28(23-26)41-35-16-7-4-13-30(35)32-20-18-25(22-38(32)41)29-12-3-6-15-34(29)42-36-17-8-5-14-31(36)33-24-27(40-2)19-21-37(33)42;1-40-27-17-21-37-33(23-27)31-10-4-7-13-36(31)42(37)34-11-5-2-8-29(34)26-16-20-32-30-9-3-6-12-35(30)41(38(32)22-26)28-18-14-25(24-39)15-19-28;1-38-31-16-6-11-21-36(31)40-35-20-10-5-15-29(35)30-23-22-25(24-37(30)40)26-12-2-7-17-32(26)39-33-18-8-3-13-27(33)28-14-4-9-19-34(28)39/h2*3-24H;2-23H;2-24H
• InChIKey: IJWXMXIIMBCMMP-UHFFFAOYSA-N
• XLogP: 41.37
• TPSA: 89.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2113.48
LogP ≤ 5	41.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole?

The IUPAC name of 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole (CID 158720848) is 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole.

What is the SMILES notation for 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole?

The canonical SMILES for 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c3ccccc3n(-c3ccc(C#N)cc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3[N+]#[C-])c2c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccc(-c4ccccc4-n4c5ccccc5c5cc([N+]#[C-])ccc54)cc32)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole?

The InChIKey is IJWXMXIIMBCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H22N4.C37H23N3/c1-39-26-20-22-36-31(24-26)29-13-5-9-17-35(29)41(36)33-15-7-3-11-27(33)25-19-21-30-28-12-4-8-16-34(28)42(38(30)23-25)37-18-10-6-14-32(37)40-2;1-39-26-10-9-11-28(23-26)41-35-16-7-4-13-30(35)32-20-18-25(22-38(32)41)29-12-3-6-15-34(29)42-36-17-8-5-14-31(36)33-24-27(40-2)19-21-37(33)42;1-40-27-17-21-37-33(23-27)31-10-4-7-13-36(31)42(37)34-11-5-2-8-29(34)26-16-20-32-30-9-3-6-12-35(30)41(38(32)22-26)28-18-14-25(24-39)15-19-28;1-38-31-16-6-11-21-36(31)40-35-20-10-5-15-29(35)30-23-22-25(24-37(30)40)26-12-2-7-17-32(26)39-33-18-8-3-13-27(33)28-14-4-9-19-34(28)39/h2*3-24H;2-23H;2-24H.

What are the key properties of 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole?

2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole has a molecular weight of 2113.48 g/mol, XLogP of 41.37, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole is sourced from PubChem (CID 158720848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).