3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole

C152H88N16 — CID 158074338

About 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole

3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole (PubChem CID 158074338) has the molecular formula C152H88N16 and a molecular weight of 2138.49 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole
• PubChem CID: 158074338
• Molecular Formula: C152H88N16
• Molecular Weight: 2138.49 g/mol
• Exact Mass: 2136.74
• IUPAC Name: 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole
• SMILES: [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1[N+]#[C-].[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5cc([N+]#[C-])ccc54)ccc32)c1
• InChI: InChI=1S/4C38H22N4/c1-39-26-20-22-37-31(24-26)29-13-5-8-16-34(29)41(37)33-15-7-3-11-27(33)25-19-21-36-30(23-25)28-12-4-9-17-35(28)42(36)38-18-10-6-14-32(38)40-2;1-39-26-20-22-37-31(24-26)30-23-25(19-21-36(30)42(37)38-18-10-6-14-32(38)40-2)27-11-3-7-15-33(27)41-34-16-8-4-12-28(34)29-13-5-9-17-35(29)41;1-39-26-10-9-11-28(23-26)41-35-16-7-4-13-30(35)32-22-25(18-20-37(32)41)29-12-3-6-15-34(29)42-36-17-8-5-14-31(36)33-24-27(40-2)19-21-38(33)42;1-40-27-17-21-38-33(23-27)31-10-4-7-13-36(31)42(38)34-11-5-2-8-29(34)26-16-20-37-32(22-26)30-9-3-6-12-35(30)41(37)28-18-14-25(24-39)15-19-28/h3*3-24H;2-23H
• InChIKey: FMELXVMTFKNJJH-UHFFFAOYSA-N
• XLogP: 41.92
• TPSA: 93.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2138.49
LogP ≤ 5	41.92
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 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole?

The IUPAC name of 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole (CID 158074338) is 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole.

What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole?

The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1[N+]#[C-].[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4-n4c5ccccc5c5cc([N+]#[C-])ccc54)ccc32)c1.

What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole?

The InChIKey is FMELXVMTFKNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C38H22N4/c1-39-26-20-22-37-31(24-26)29-13-5-8-16-34(29)41(37)33-15-7-3-11-27(33)25-19-21-36-30(23-25)28-12-4-9-17-35(28)42(36)38-18-10-6-14-32(38)40-2;1-39-26-20-22-37-31(24-26)30-23-25(19-21-36(30)42(37)38-18-10-6-14-32(38)40-2)27-11-3-7-15-33(27)41-34-16-8-4-12-28(34)29-13-5-9-17-35(29)41;1-39-26-10-9-11-28(23-26)41-35-16-7-4-13-30(35)32-22-25(18-20-37(32)41)29-12-3-6-15-34(29)42-36-17-8-5-14-31(36)33-24-27(40-2)19-21-38(33)42;1-40-27-17-21-38-33(23-27)31-10-4-7-13-36(31)42(38)34-11-5-2-8-29(34)26-16-20-37-32(22-26)30-9-3-6-12-35(30)41(37)28-18-14-25(24-39)15-19-28/h3*3-24H;2-23H.

What are the key properties of 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole?

3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole has a molecular weight of 2138.49 g/mol, XLogP of 41.92, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 158074338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).