3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole

C129H92N6 — CID 161280726

About 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole

3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 161280726) has the molecular formula C129H92N6 and a molecular weight of 1726.20 g/mol. Its IUPAC name is 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
• PubChem CID: 161280726
• Molecular Formula: C129H92N6
• Molecular Weight: 1726.20 g/mol
• Exact Mass: 1724.74
• IUPAC Name: 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5C4CCCCC4)ccc32)cc1
• InChI: InChI=1S/C48H30N2.C45H32N2.C36H30N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-30H;3-28H,1-2H3;1,3-4,7-12,15-24,28H,2,5-6,13-14H2
• InChIKey: VFAXGEYACTVPAE-UHFFFAOYSA-N
• XLogP: 34.93
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1726.20
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?

The IUPAC name of 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole (CID 161280726) is 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole.

What is the SMILES notation for 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?

The canonical SMILES for 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5C4CCCCC4)ccc32)cc1.

What is the InChIKey of 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?

The InChIKey is VFAXGEYACTVPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2.C45H32N2.C36H30N2/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34;1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-30H;3-28H,1-2H3;1,3-4,7-12,15-24,28H,2,5-6,13-14H2.

What are the key properties of 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?

3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole has a molecular weight of 1726.20 g/mol, XLogP of 34.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-cyclohexylcarbazol-3-yl)-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 161280726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).