[4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

C55H40N2O2 — CID 118642783

About [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

[4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (PubChem CID 118642783) has the molecular formula C55H40N2O2 and a molecular weight of 760.94 g/mol. Its IUPAC name is [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.

Molecular Properties

• Compound Name: [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
• PubChem CID: 118642783
• Molecular Formula: C55H40N2O2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.31
• IUPAC Name: [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
• SMILES: COc1ccc(C2(c3ccc(CO)c(C(=C=Nc4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1C(=C=Nc1ccccc1)c1ccccc1
• InChI: InChI=1S/C55H40N2O2/c1-59-54-33-32-43(35-49(54)51(40-20-8-3-9-21-40)37-57-45-24-12-5-13-25-45)55(52-28-16-14-26-46(52)47-27-15-17-29-53(47)55)42-31-30-41(38-58)48(34-42)50(39-18-6-2-7-19-39)36-56-44-22-10-4-11-23-44/h2-35,58H,38H2,1H3
• InChIKey: ZSFKDSDEYLLFJN-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?

The IUPAC name of [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (CID 118642783) is [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.

What is the SMILES notation for [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?

The canonical SMILES for [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is COc1ccc(C2(c3ccc(CO)c(C(=C=Nc4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1C(=C=Nc1ccccc1)c1ccccc1.

What is the InChIKey of [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?

The InChIKey is ZSFKDSDEYLLFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2O2/c1-59-54-33-32-43(35-49(54)51(40-20-8-3-9-21-40)37-57-45-24-12-5-13-25-45)55(52-28-16-14-26-46(52)47-27-15-17-29-53(47)55)42-31-30-41(38-58)48(34-42)50(39-18-6-2-7-19-39)36-56-44-22-10-4-11-23-44/h2-35,58H,38H2,1H3.

What are the key properties of [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?

[4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol has a molecular weight of 760.94 g/mol, XLogP of 12.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is sourced from PubChem (CID 118642783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).