[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

C48H42N2O2 — CID 118642782

IUPAC[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C2(c3ccc(CO)c(C(=C=Nc4ccccc4)c4ccccc4)c3)CCCCC2)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C48H42N2O2/c1-52-47-28-27-40(32-44(47)46(37-19-9-3-10-20-37)34-50-42-23-13-5-14-24-42)48(29-15-6-16-30-48)39-26-25-38(35-51)43(31-39)45(36-17-7-2-8-18-36)33-49-41-21-11-4-12-22-41/h2-5,7-14,17-28,31-32,51H,6,15-16,29-30,35H2,1H3
InChIKeyUVOSZPPAFQCSEW-UHFFFAOYSA-N
MW678.88 g/mol
LogP11.30
Rot. Bonds10

About [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (PubChem CID 118642782) has the molecular formula C48H42N2O2 and a molecular weight of 678.88 g/mol. Its IUPAC name is [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
PubChem CID118642782
Molecular FormulaC48H42N2O2
Molecular Weight678.88 g/mol
Exact Mass678.32
IUPAC Name[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C2(c3ccc(CO)c(C(=C=Nc4ccccc4)c4ccccc4)c3)CCCCC2)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C48H42N2O2/c1-52-47-28-27-40(32-44(47)46(37-19-9-3-10-20-37)34-50-42-23-13-5-14-24-42)48(29-15-6-16-30-48)39-26-25-38(35-51)43(31-39)45(36-17-7-2-8-18-36)33-49-41-21-11-4-12-22-41/h2-5,7-14,17-28,31-32,51H,6,15-16,29-30,35H2,1H3
InChIKeyUVOSZPPAFQCSEW-UHFFFAOYSA-N
XLogP11.30
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The IUPAC name of [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (CID 118642782) is [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.
What is the SMILES notation for [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The canonical SMILES for [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is COc1ccc(C2(c3ccc(CO)c(C(=C=Nc4ccccc4)c4ccccc4)c3)CCCCC2)cc1C(=C=Nc1ccccc1)c1ccccc1.
What is the InChIKey of [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The InChIKey is UVOSZPPAFQCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2O2/c1-52-47-28-27-40(32-44(47)46(37-19-9-3-10-20-37)34-50-42-23-13-5-14-24-42)48(29-15-6-16-30-48)39-26-25-38(35-51)43(31-39)45(36-17-7-2-8-18-36)33-49-41-21-11-4-12-22-41/h2-5,7-14,17-28,31-32,51H,6,15-16,29-30,35H2,1H3.
What are the key properties of [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol has a molecular weight of 678.88 g/mol, XLogP of 11.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]cyclohexyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is sourced from PubChem (CID 118642782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).