3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine

C25H27N — CID 59572240

IUPAC3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)ccc32)c(C)c1
InChIInChI=1S/C25H27N/c1-16-6-10-23-21(14-16)8-9-22-15-17(2)7-11-24(22)26(23)25-19(4)12-18(3)13-20(25)5/h6-7,10-15H,8-9H2,1-5H3
InChIKeyXEYWICAKXGQFIF-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.80
Rot. Bonds1

About 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine

3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59572240) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID59572240
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESCc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)ccc32)c(C)c1
InChIInChI=1S/C25H27N/c1-16-6-10-23-21(14-16)8-9-22-15-17(2)7-11-24(22)26(23)25-19(4)12-18(3)13-20(25)5/h6-7,10-15H,8-9H2,1-5H3
InChIKeyXEYWICAKXGQFIF-UHFFFAOYSA-N
XLogP6.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine 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 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine (CID 59572240) is 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine is Cc1cc(C)c(N2c3ccc(C)cc3CCc3cc(C)ccc32)c(C)c1.
What is the InChIKey of 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is XEYWICAKXGQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-16-6-10-23-21(14-16)8-9-22-15-17(2)7-11-24(22)26(23)25-19(4)12-18(3)13-20(25)5/h6-7,10-15H,8-9H2,1-5H3.
What are the key properties of 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine?
3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 341.50 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59572240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).