9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine

C55H42N2 — CID 123977635

About 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine (PubChem CID 123977635) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine
• PubChem CID: 123977635
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4cccc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)cc21
• InChI: InChI=1S/C55H42N2/c1-55(2)50-29-16-15-27-47(50)48-37-36-46(38-51(48)55)56(43-23-11-5-12-24-43)45-34-31-39(32-35-45)30-33-42-22-17-28-49-52(40-18-7-3-8-19-40)54(41-20-9-4-10-21-41)57(53(42)49)44-25-13-6-14-26-44/h3-38H,1-2H3
• InChIKey: OUYVDYJGHAHDJO-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	14.91
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-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine (CID 123977635) is 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4cccc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine?

The InChIKey is OUYVDYJGHAHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)50-29-16-15-27-47(50)48-37-36-46(38-51(48)55)56(43-23-11-5-12-24-43)45-34-31-39(32-35-45)30-33-42-22-17-28-49-52(40-18-7-3-8-19-40)54(41-20-9-4-10-21-41)57(53(42)49)44-25-13-6-14-26-44/h3-38H,1-2H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine has a molecular weight of 730.96 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 123977635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).