3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole

C82H60N2 — CID 59236662

About 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole

3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole (PubChem CID 59236662) has the molecular formula C82H60N2 and a molecular weight of 1073.40 g/mol. Its IUPAC name is 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
• PubChem CID: 59236662
• Molecular Formula: C82H60N2
• Molecular Weight: 1073.40 g/mol
• Exact Mass: 1072.48
• IUPAC Name: 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C/c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)cc21
• InChI: InChI=1S/C82H60N2/c1-81(2)73-49-59(57-33-27-53(28-34-57)23-25-55-31-45-79-71(47-55)69-19-11-13-21-77(69)83(79)63-15-7-5-8-16-63)37-41-65(73)67-43-39-61(51-75(67)81)62-40-44-68-66-42-38-60(50-74(66)82(3,4)76(68)52-62)58-35-29-54(30-36-58)24-26-56-32-46-80-72(48-56)70-20-12-14-22-78(70)84(80)64-17-9-6-10-18-64/h5-52H,1-4H3/b25-23+,26-24+
• InChIKey: AXEQDVYQGODGFD-OGGGYYITSA-N
• XLogP: 21.84
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.40
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole?

The IUPAC name of 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole (CID 59236662) is 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc(/C=C/c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(/C=C/c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)cc21.

What is the InChIKey of 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole?

The InChIKey is AXEQDVYQGODGFD-OGGGYYITSA-N. The full InChI is InChI=1S/C82H60N2/c1-81(2)73-49-59(57-33-27-53(28-34-57)23-25-55-31-45-79-71(47-55)69-19-11-13-21-77(69)83(79)63-15-7-5-8-16-63)37-41-65(73)67-43-39-61(51-75(67)81)62-40-44-68-66-42-38-60(50-74(66)82(3,4)76(68)52-62)58-35-29-54(30-36-58)24-26-56-32-46-80-72(48-56)70-20-12-14-22-78(70)84(80)64-17-9-6-10-18-64/h5-52H,1-4H3/b25-23+,26-24+.

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

3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole has a molecular weight of 1073.40 g/mol, XLogP of 21.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole is sourced from PubChem (CID 59236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).