2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole

C22H19N — CID 177417864

IUPAC2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)C(c1ccccc1)=CCC=C2c1ccccc1
InChIInChI=1S/C22H19N/c1-16-15-21-19(17-9-4-2-5-10-17)13-8-14-20(22(21)23-16)18-11-6-3-7-12-18/h2-7,9-15,23H,8H2,1H3
InChIKeyACLREPABDUODOI-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.59
Rot. Bonds2

About 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole

2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole (PubChem CID 177417864) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole
PubChem CID177417864
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole
SMILESCc1cc2c([nH]1)C(c1ccccc1)=CCC=C2c1ccccc1
InChIInChI=1S/C22H19N/c1-16-15-21-19(17-9-4-2-5-10-17)13-8-14-20(22(21)23-16)18-11-6-3-7-12-18/h2-7,9-15,23H,8H2,1H3
InChIKeyACLREPABDUODOI-UHFFFAOYSA-N
XLogP5.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole 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 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole (CID 177417864) is 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole is Cc1cc2c([nH]1)C(c1ccccc1)=CCC=C2c1ccccc1.
What is the InChIKey of 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole?
The InChIKey is ACLREPABDUODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16-15-21-19(17-9-4-2-5-10-17)13-8-14-20(22(21)23-16)18-11-6-3-7-12-18/h2-7,9-15,23H,8H2,1H3.
What are the key properties of 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole?
2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole has a molecular weight of 297.40 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,8-diphenyl-1,6-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 177417864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).