3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole

C69H53N — CID 59236111

About 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole

3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole (PubChem CID 59236111) has the molecular formula C69H53N and a molecular weight of 896.19 g/mol. Its IUPAC name is 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole
• PubChem CID: 59236111
• Molecular Formula: C69H53N
• Molecular Weight: 896.19 g/mol
• Exact Mass: 895.42
• IUPAC Name: 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole
• SMILES: Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C(\c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)cc5)ccc3-4)ccc1-2
• InChI: InChI=1S/C69H53N/c1-44-20-33-55-56-35-30-52(42-64(56)68(2,3)62(55)38-44)53-31-36-58-57-34-29-51(41-63(57)69(4,5)65(58)43-53)46-23-21-45(22-24-46)39-60(48-14-8-6-9-15-48)49-27-25-47(26-28-49)50-32-37-67-61(40-50)59-18-12-13-19-66(59)70(67)54-16-10-7-11-17-54/h6-43H,1-5H3/b60-39+
• InChIKey: SFQYGICHUNGOSZ-HIJXTXFJSA-N
• XLogP: 18.29
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.19
LogP ≤ 5	18.29
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 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole (CID 59236111) is 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C(\c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)cc5)ccc3-4)ccc1-2.

What is the InChIKey of 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole?

The InChIKey is SFQYGICHUNGOSZ-HIJXTXFJSA-N. The full InChI is InChI=1S/C69H53N/c1-44-20-33-55-56-35-30-52(42-64(56)68(2,3)62(55)38-44)53-31-36-58-57-34-29-51(41-63(57)69(4,5)65(58)43-53)46-23-21-45(22-24-46)39-60(48-14-8-6-9-15-48)49-27-25-47(26-28-49)50-32-37-67-61(40-50)59-18-12-13-19-66(59)70(67)54-16-10-7-11-17-54/h6-43H,1-5H3/b60-39+.

What are the key properties of 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole?

3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole has a molecular weight of 896.19 g/mol, XLogP of 18.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59236111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).