N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine

C79H65FN2 — CID 155015451

About N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine

N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine (PubChem CID 155015451) has the molecular formula C79H65FN2 and a molecular weight of 1061.40 g/mol. Its IUPAC name is N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine
• PubChem CID: 155015451
• Molecular Formula: C79H65FN2
• Molecular Weight: 1061.40 g/mol
• Exact Mass: 1060.51
• IUPAC Name: N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine
• SMILES: C=Cc1ccc(CC(CC)CCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C=C)cc6)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C79H65FN2/c1-4-55-23-25-58(26-24-55)52-57(6-3)16-14-15-51-79(65-17-8-7-9-18-65)75-21-12-10-19-71(75)72-49-48-70(54-76(72)79)81(68-46-37-62(38-47-68)60-33-40-66(80)41-34-60)67-44-35-61(36-45-67)59-29-31-63(32-30-59)64-39-50-78-74(53-64)73-20-11-13-22-77(73)82(78)69-42-27-56(5-2)28-43-69/h4-5,7-13,17-50,53-54,57H,1-2,6,14-16,51-52H2,3H3
• InChIKey: UMVJEAYEUSMNSZ-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.40
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?

The IUPAC name of N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine (CID 155015451) is N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?

The canonical SMILES for N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine is C=Cc1ccc(CC(CC)CCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C=C)cc6)cc5)cc4)cc32)cc1.

What is the InChIKey of N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?

The InChIKey is UMVJEAYEUSMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H65FN2/c1-4-55-23-25-58(26-24-55)52-57(6-3)16-14-15-51-79(65-17-8-7-9-18-65)75-21-12-10-19-71(75)72-49-48-70(54-76(72)79)81(68-46-37-62(38-47-68)60-33-40-66(80)41-34-60)67-44-35-61(36-45-67)59-29-31-63(32-30-59)64-39-50-78-74(53-64)73-20-11-13-22-77(73)82(78)69-42-27-56(5-2)28-43-69/h4-5,7-13,17-50,53-54,57H,1-2,6,14-16,51-52H2,3H3.

What are the key properties of N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?

N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine has a molecular weight of 1061.40 g/mol, XLogP of 21.82, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-9-[5-[(4-ethenylphenyl)methyl]heptyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 155015451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).