(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene

C23H20N2O — CID 92640892

IUPAC(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
SMILESCOc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21
InChIInChI=1S/C23H20N2O/c1-26-19-15-9-8-14-18(19)23-24-20(16-10-4-2-5-11-16)22-21(25(22)23)17-12-6-3-7-13-17/h2-15,21-23H,1H3/t21-,22-,23-,25?/m1/s1
InChIKeyZYNSVKVRUBHSMG-XUFGXFBWSA-N
MW340.43 g/mol
LogP4.62
Rot. Bonds4

About (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene

(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene (PubChem CID 92640892) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
PubChem CID92640892
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
SMILESCOc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21
InChIInChI=1S/C23H20N2O/c1-26-19-15-9-8-14-18(19)23-24-20(16-10-4-2-5-11-16)22-21(25(22)23)17-12-6-3-7-13-17/h2-15,21-23H,1H3/t21-,22-,23-,25?/m1/s1
InChIKeyZYNSVKVRUBHSMG-XUFGXFBWSA-N
XLogP4.62
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene with MolForge

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

Launch Full Analysis

Related Compounds

(2R,5R,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 92640895
(2S,5R,6R)-4-(4-bromophenyl)-2-(2-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 92833268
(2S,5S,6R)-2,4,6-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7230464
(2S,5S,6S)-2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 100888123
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 4169624
(2R,5S,6R)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 92838338
4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline
CID 92844224
(2R,5S,6S)-2,4-bis(4-chlorophenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 100890969
(2S,5S,6R)-4-(4-bromophenyl)-2-(4-chlorophenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 92833262
1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 2842353
ethyl 4-(4-methoxyphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene-2-carboxylate
CID 102040068
(2S,7S,8R)-2,6,8-triphenyl-1,5-diazabicyclo[5.1.0]octa-3,5-diene
CID 98523863

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The IUPAC name of (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene (CID 92640892) is (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene is COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21.
What is the InChIKey of (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The InChIKey is ZYNSVKVRUBHSMG-XUFGXFBWSA-N. The full InChI is InChI=1S/C23H20N2O/c1-26-19-15-9-8-14-18(19)23-24-20(16-10-4-2-5-11-16)22-21(25(22)23)17-12-6-3-7-13-17/h2-15,21-23H,1H3/t21-,22-,23-,25?/m1/s1.
What are the key properties of (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
(2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene has a molecular weight of 340.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6R)-2-(2-methoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 92640892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).