1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine

C24H23N — CID 165369823

IUPAC1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine
SMILESCC(C)c1ccc2c(c1N=C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H23N/c1-17(2)21-15-13-18-14-16-22(18)24(21)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,15,17H,14,16H2,1-2H3
InChIKeyVBDFTLMSGQZJEQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP6.08
Rot. Bonds4

About 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine

1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine (PubChem CID 165369823) has the molecular formula C24H23N and a molecular weight of 325.45 g/mol. Its IUPAC name is 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine
PubChem CID165369823
Molecular FormulaC24H23N
Molecular Weight325.45 g/mol
Exact Mass325.18
IUPAC Name1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine
SMILESCC(C)c1ccc2c(c1N=C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H23N/c1-17(2)21-15-13-18-14-16-22(18)24(21)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,15,17H,14,16H2,1-2H3
InChIKeyVBDFTLMSGQZJEQ-UHFFFAOYSA-N
XLogP6.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine 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 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine (CID 165369823) is 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine is CC(C)c1ccc2c(c1N=C(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine?
The InChIKey is VBDFTLMSGQZJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-17(2)21-15-13-18-14-16-22(18)24(21)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,15,17H,14,16H2,1-2H3.
What are the key properties of 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine?
1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine has a molecular weight of 325.45 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(3-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanimine is sourced from PubChem (CID 165369823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).