9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole

C85H56N2 — CID 59236285

About 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole

9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole (PubChem CID 59236285) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
• PubChem CID: 59236285
• Molecular Formula: C85H56N2
• Molecular Weight: 1105.40 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
• SMILES: C(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C85H56N2/c1-3-19-69(20-4-1)85(70-21-5-2-6-22-70)79-51-59(29-27-57-31-37-63(38-32-57)67-43-49-83-77(55-67)75-23-11-13-25-81(75)86(83)71-45-41-61-15-7-9-17-65(61)53-71)35-47-73(79)74-48-36-60(52-80(74)85)30-28-58-33-39-64(40-34-58)68-44-50-84-78(56-68)76-24-12-14-26-82(76)87(84)72-46-42-62-16-8-10-18-66(62)54-72/h1-56H/b29-27+,30-28+
• InChIKey: VPALFWBFXVJIGE-QAVVBOBSSA-N
• XLogP: 22.23
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.40
LogP ≤ 5	22.23
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 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole (CID 59236285) is 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole.

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

The canonical SMILES for 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole is C(=C/c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)ccc1-2)\c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1.

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

The InChIKey is VPALFWBFXVJIGE-QAVVBOBSSA-N. The full InChI is InChI=1S/C85H56N2/c1-3-19-69(20-4-1)85(70-21-5-2-6-22-70)79-51-59(29-27-57-31-37-63(38-32-57)67-43-49-83-77(55-67)75-23-11-13-25-81(75)86(83)71-45-41-61-15-7-9-17-65(61)53-71)35-47-73(79)74-48-36-60(52-80(74)85)30-28-58-33-39-64(40-34-58)68-44-50-84-78(56-68)76-24-12-14-26-82(76)87(84)72-46-42-62-16-8-10-18-66(62)54-72/h1-56H/b29-27+,30-28+.

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

9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole has a molecular weight of 1105.40 g/mol, XLogP of 22.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 59236285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).