N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

C57H48N2 — CID 90693832

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (PubChem CID 90693832) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 90693832
• Molecular Formula: C57H48N2
• Molecular Weight: 761.03 g/mol
• Exact Mass: 760.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
• SMILES: Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c1
• InChI: InChI=1S/C57H48N2/c1-39-15-14-20-45(35-39)59(46-30-33-50-48-21-12-13-22-52(48)56(2,3)54(50)37-46)47-31-34-51-49-32-27-41(36-53(49)57(4,5)55(51)38-47)24-23-40-25-28-44(29-26-40)58(42-16-8-6-9-17-42)43-18-10-7-11-19-43/h6-38H,1-5H3
• InChIKey: YXFBHNYPLBWDAN-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.03
LogP ≤ 5	15.72
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 N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (CID 90693832) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?

The InChIKey is YXFBHNYPLBWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-39-15-14-20-45(35-39)59(46-30-33-50-48-21-12-13-22-52(48)56(2,3)54(50)37-46)47-31-34-51-49-32-27-41(36-53(49)57(4,5)55(51)38-47)24-23-40-25-28-44(29-26-40)58(42-16-8-6-9-17-42)43-18-10-7-11-19-43/h6-38H,1-5H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 761.03 g/mol, XLogP of 15.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 90693832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).