9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole

C64H45N — CID 166895463

About 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole

9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole (PubChem CID 166895463) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole
• PubChem CID: 166895463
• Molecular Formula: C64H45N
• Molecular Weight: 828.07 g/mol
• Exact Mass: 827.36
• IUPAC Name: 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole
• SMILES: C(=C(/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(-n3c4ccccc4c4ccccc43)c1-2)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)\c1ccccc1
• InChI: InChI=1S/C64H45N/c1-5-18-45(19-6-1)42-52(51-39-37-50(38-40-51)49-35-33-48(34-36-49)47-20-7-2-8-21-47)43-46-32-41-57-59(44-46)64(53-22-9-3-10-23-53,54-24-11-4-12-25-54)58-28-17-31-62(63(57)58)65-60-29-15-13-26-55(60)56-27-14-16-30-61(56)65/h1-42,44H,43H2/b52-42-
• InChIKey: HQIZIZUXNCRMCS-UWOJDMBZSA-N
• XLogP: 16.26
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.07
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole?

The IUPAC name of 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole (CID 166895463) is 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole.

What is the SMILES notation for 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole?

The canonical SMILES for 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole is C(=C(/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cccc(-n3c4ccccc4c4ccccc43)c1-2)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)\c1ccccc1.

What is the InChIKey of 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole?

The InChIKey is HQIZIZUXNCRMCS-UWOJDMBZSA-N. The full InChI is InChI=1S/C64H45N/c1-5-18-45(19-6-1)42-52(51-39-37-50(38-40-51)49-35-33-48(34-36-49)47-20-7-2-8-21-47)43-46-32-41-57-59(44-46)64(53-22-9-3-10-23-53,54-24-11-4-12-25-54)58-28-17-31-62(63(57)58)65-60-29-15-13-26-55(60)56-27-14-16-30-61(56)65/h1-42,44H,43H2/b52-42-.

What are the key properties of 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole?

9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole has a molecular weight of 828.07 g/mol, XLogP of 16.26, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole is sourced from PubChem (CID 166895463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).