9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine

C62H51N3 — CID 89074960

About 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine (PubChem CID 89074960) has the molecular formula C62H51N3 and a molecular weight of 838.11 g/mol. Its IUPAC name is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 89074960
• Molecular Formula: C62H51N3
• Molecular Weight: 838.11 g/mol
• Exact Mass: 837.41
• IUPAC Name: 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3ccc(-c4cc(-c5ccccc5)ccc4-c4nc5c(n4-c4ccccc4)C=CCC5)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C62H51N3/c1-3-62(4-2)57-41-45(33-38-53(57)54-40-37-52(43-58(54)62)64(49-21-11-6-12-22-49)50-23-13-7-14-24-50)30-29-44-31-34-47(35-32-44)56-42-48(46-19-9-5-10-20-46)36-39-55(56)61-63-59-27-17-18-28-60(59)65(61)51-25-15-8-16-26-51/h5-16,18-26,28-43H,3-4,17,27H2,1-2H3/b30-29+
• InChIKey: LRMXBLQZGZUFHR-QVIHXGFCSA-N
• XLogP: 16.56
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.11
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine (CID 89074960) is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine?

The canonical SMILES for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4cc(-c5ccccc5)ccc4-c4nc5c(n4-c4ccccc4)C=CCC5)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine?

The InChIKey is LRMXBLQZGZUFHR-QVIHXGFCSA-N. The full InChI is InChI=1S/C62H51N3/c1-3-62(4-2)57-41-45(33-38-53(57)54-40-37-52(43-58(54)62)64(49-21-11-6-12-22-49)50-23-13-7-14-24-50)30-29-44-31-34-47(35-32-44)56-42-48(46-19-9-5-10-20-46)36-39-55(56)61-63-59-27-17-18-28-60(59)65(61)51-25-15-8-16-26-51/h5-16,18-26,28-43H,3-4,17,27H2,1-2H3/b30-29+.

What are the key properties of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine?

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine has a molecular weight of 838.11 g/mol, XLogP of 16.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89074960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).