9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

C57H44N2 — CID 89068043

About 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 89068043) has the molecular formula C57H44N2 and a molecular weight of 756.99 g/mol. Its IUPAC name is 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• PubChem CID: 89068043
• Molecular Formula: C57H44N2
• Molecular Weight: 756.99 g/mol
• Exact Mass: 756.35
• IUPAC Name: 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C57H44N2/c1-57(2)54-39-42(29-37-52(54)53-38-36-50(40-55(53)57)58(46-19-8-4-9-20-46)47-21-10-5-11-22-47)26-25-41-27-32-48(33-28-41)59(56-24-14-18-45-17-12-13-23-51(45)56)49-34-30-44(31-35-49)43-15-6-3-7-16-43/h3-40H,1-2H3/b26-25+
• InChIKey: BKDZPSZYVPPYJW-OCEACIFDSA-N
• XLogP: 15.92
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.99
LogP ≤ 5	15.92
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 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 89068043) is 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The InChIKey is BKDZPSZYVPPYJW-OCEACIFDSA-N. The full InChI is InChI=1S/C57H44N2/c1-57(2)54-39-42(29-37-52(54)53-38-36-50(40-55(53)57)58(46-19-8-4-9-20-46)47-21-10-5-11-22-47)26-25-41-27-32-48(33-28-41)59(56-24-14-18-45-17-12-13-23-51(45)56)49-34-30-44(31-35-49)43-15-6-3-7-16-43/h3-40H,1-2H3/b26-25+.

What are the key properties of 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 756.99 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).