1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine

C29H29NO — CID 118370222

IUPAC1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine
SMILESCC1(c2ccccc2)C=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CC1
InChIInChI=1S/C29H29NO/c1-29(25-15-9-4-10-16-25)19-17-26(18-20-29)31-27-21-30(22-27)28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-19,27-28H,20-22H2,1H3
InChIKeyLZYQWCIGQMATIE-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.28
Rot. Bonds6

About 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine

1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine (PubChem CID 118370222) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine.

Molecular Properties

Compound Name1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine
PubChem CID118370222
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC Name1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine
SMILESCC1(c2ccccc2)C=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CC1
InChIInChI=1S/C29H29NO/c1-29(25-15-9-4-10-16-25)19-17-26(18-20-29)31-27-21-30(22-27)28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-19,27-28H,20-22H2,1H3
InChIKeyLZYQWCIGQMATIE-UHFFFAOYSA-N
XLogP6.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine 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-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The IUPAC name of 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine (CID 118370222) is 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine.
What is the SMILES notation for 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The canonical SMILES for 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine is CC1(c2ccccc2)C=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CC1.
What is the InChIKey of 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The InChIKey is LZYQWCIGQMATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO/c1-29(25-15-9-4-10-16-25)19-17-26(18-20-29)31-27-21-30(22-27)28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-19,27-28H,20-22H2,1H3.
What are the key properties of 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine?
1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine has a molecular weight of 407.56 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine is sourced from PubChem (CID 118370222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).