9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

C52H42N2 — CID 89067733

About 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 89067733) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• PubChem CID: 89067733
• Molecular Formula: C52H42N2
• Molecular Weight: 694.92 g/mol
• Exact Mass: 694.33
• IUPAC Name: 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• SMILES: Cc1ccc(N(c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C52H42N2/c1-37-18-26-44(27-19-37)54(46-30-25-40-12-10-11-13-41(40)35-46)45-28-22-38(23-29-45)20-21-39-24-32-48-49-33-31-47(36-51(49)52(2,3)50(48)34-39)53(42-14-6-4-7-15-42)43-16-8-5-9-17-43/h4-36H,1-3H3/b21-20+
• InChIKey: BJSYGPUGFWSHJW-QZQOTICOSA-N
• XLogP: 14.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.92
LogP ≤ 5	14.56
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-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 89067733) is 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is Cc1ccc(N(c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc2)c2ccc3ccccc3c2)cc1.

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

The InChIKey is BJSYGPUGFWSHJW-QZQOTICOSA-N. The full InChI is InChI=1S/C52H42N2/c1-37-18-26-44(27-19-37)54(46-30-25-40-12-10-11-13-41(40)35-46)45-28-22-38(23-29-45)20-21-39-24-32-48-49-33-31-47(36-51(49)52(2,3)50(48)34-39)53(42-14-6-4-7-15-42)43-16-8-5-9-17-43/h4-36H,1-3H3/b21-20+.

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

9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 694.92 g/mol, XLogP of 14.56, 8 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-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89067733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).