(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine

C20H19N — CID 122491547

IUPAC(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C20H19N/c1-16-12-13-20-19(15-16)17(2)9-5-4-8-14-21(20)18-10-6-3-7-11-18/h3-13,15H,2,14H2,1H3/b8-4-,9-5-
InChIKeySWWSOQGCTQHYFR-XEQVNJCQSA-N
MW273.38 g/mol
LogP5.27
Rot. Bonds1

About (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine

(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine (PubChem CID 122491547) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine
PubChem CID122491547
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C20H19N/c1-16-12-13-20-19(15-16)17(2)9-5-4-8-14-21(20)18-10-6-3-7-11-18/h3-13,15H,2,14H2,1H3/b8-4-,9-5-
InChIKeySWWSOQGCTQHYFR-XEQVNJCQSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine 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 (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine?
The IUPAC name of (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine (CID 122491547) is (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine.
What is the SMILES notation for (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine?
The canonical SMILES for (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine is C=C1/C=C\C=C/CN(c2ccccc2)c2ccc(C)cc21.
What is the InChIKey of (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine?
The InChIKey is SWWSOQGCTQHYFR-XEQVNJCQSA-N. The full InChI is InChI=1S/C20H19N/c1-16-12-13-20-19(15-16)17(2)9-5-4-8-14-21(20)18-10-6-3-7-11-18/h3-13,15H,2,14H2,1H3/b8-4-,9-5-.
What are the key properties of (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine?
(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine has a molecular weight of 273.38 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine is sourced from PubChem (CID 122491547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).