3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C92H63N3 — CID 59306698

About 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59306698) has the molecular formula C92H63N3 and a molecular weight of 1210.54 g/mol. Its IUPAC name is 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 59306698
• Molecular Formula: C92H63N3
• Molecular Weight: 1210.54 g/mol
• Exact Mass: 1209.50
• IUPAC Name: 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)cc21
• InChI: InChI=1S/C92H63N3/c1-91(2)79-30-16-12-22-65(79)67-44-42-63(54-81(67)91)94-83-32-18-14-24-69(83)75-50-58(36-46-85(75)94)60-38-48-87-77(52-60)78-53-61(59-37-47-86-76(51-59)70-25-15-19-33-84(70)95(86)64-43-45-68-66-23-13-17-31-80(66)92(3,4)82(68)55-64)39-49-88(78)93(87)62-40-34-57(35-41-62)90-73-28-10-8-26-71(73)89(56-20-6-5-7-21-56)72-27-9-11-29-74(72)90/h5-55H,1-4H3
• InChIKey: VTRSAZBFXANPII-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.54
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59306698) is 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)cc21.

What is the InChIKey of 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is VTRSAZBFXANPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H63N3/c1-91(2)79-30-16-12-22-65(79)67-44-42-63(54-81(67)91)94-83-32-18-14-24-69(83)75-50-58(36-46-85(75)94)60-38-48-87-77(52-60)78-53-61(59-37-47-86-76(51-59)70-25-15-19-33-84(70)95(86)64-43-45-68-66-23-13-17-31-80(66)92(3,4)82(68)55-64)39-49-88(78)93(87)62-40-34-57(35-41-62)90-73-28-10-8-26-71(73)89(56-20-6-5-7-21-56)72-27-9-11-29-74(72)90/h5-55H,1-4H3.

What are the key properties of 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1210.54 g/mol, XLogP of 24.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).