9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole

C86H61N — CID 59236572

About 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole (PubChem CID 59236572) has the molecular formula C86H61N and a molecular weight of 1108.44 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
• PubChem CID: 59236572
• Molecular Formula: C86H61N
• Molecular Weight: 1108.44 g/mol
• Exact Mass: 1107.48
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
• SMILES: Cc1cccc(C2(c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(/C=C/c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4-5)c3)c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C86H61N/c1-56-20-18-26-65(50-56)86(77-33-15-11-29-69(77)70-30-12-16-34-78(70)86)66-27-19-21-60(52-66)62-43-47-73-72-46-40-58(51-80(72)85(81(73)54-62,63-22-6-4-7-23-63)64-24-8-5-9-25-64)37-36-57-38-41-59(42-39-57)61-44-49-83-75(53-61)74-31-13-17-35-82(74)87(83)67-45-48-71-68-28-10-14-32-76(68)84(2,3)79(71)55-67/h4-55H,1-3H3/b37-36+
• InChIKey: YPLRSRBINLBYIN-BSRQYYOTSA-N
• XLogP: 21.63
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.44
LogP ≤ 5	21.63
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-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole (CID 59236572) is 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole is Cc1cccc(C2(c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(/C=C/c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4-5)c3)c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole?

The InChIKey is YPLRSRBINLBYIN-BSRQYYOTSA-N. The full InChI is InChI=1S/C86H61N/c1-56-20-18-26-65(50-56)86(77-33-15-11-29-69(77)70-30-12-16-34-78(70)86)66-27-19-21-60(52-66)62-43-47-73-72-46-40-58(51-80(72)85(81(73)54-62,63-22-6-4-7-23-63)64-24-8-5-9-25-64)37-36-57-38-41-59(42-39-57)61-44-49-83-75(53-61)74-31-13-17-35-82(74)87(83)67-45-48-71-68-28-10-14-32-76(68)84(2,3)79(71)55-67/h4-55H,1-3H3/b37-36+.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole?

9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole has a molecular weight of 1108.44 g/mol, XLogP of 21.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-3-[4-[(E)-2-[7-[3-[9-(3-methylphenyl)fluoren-9-yl]phenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 59236572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).