N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine

C61H51N — CID 89067131

About N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine

N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine (PubChem CID 89067131) has the molecular formula C61H51N and a molecular weight of 798.09 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 89067131
• Molecular Formula: C61H51N
• Molecular Weight: 798.09 g/mol
• Exact Mass: 797.40
• IUPAC Name: N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)C3C=CC=CC3)cc21
• InChI: InChI=1S/C61H51N/c1-3-61(4-2)59-41-45(33-38-56(59)57-40-37-52(43-60(57)61)62(50-23-13-7-14-24-50)51-25-15-8-16-26-51)30-29-44-31-34-48(35-32-44)54-39-36-49(46-19-9-5-10-20-46)42-58(54)55-28-18-17-27-53(55)47-21-11-6-12-22-47/h5-25,27-43,51H,3-4,26H2,1-2H3/b30-29+
• InChIKey: IQFWBWOCKGNNRH-QVIHXGFCSA-N
• XLogP: 16.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.09
LogP ≤ 5	16.63
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 N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine (CID 89067131) is N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine.

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

The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)C3C=CC=CC3)cc21.

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

The InChIKey is IQFWBWOCKGNNRH-QVIHXGFCSA-N. The full InChI is InChI=1S/C61H51N/c1-3-61(4-2)59-41-45(33-38-56(59)57-40-37-52(43-60(57)61)62(50-23-13-7-14-24-50)51-25-15-8-16-26-51)30-29-44-31-34-48(35-32-44)54-39-36-49(46-19-9-5-10-20-46)42-58(54)55-28-18-17-27-53(55)47-21-11-6-12-22-47/h5-25,27-43,51H,3-4,26H2,1-2H3/b30-29+.

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

N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine has a molecular weight of 798.09 g/mol, XLogP of 16.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89067131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).