3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one

C24H20N2O — CID 70380554

IUPAC3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C24H20N2O/c1-24(2)18-13-17-19(14-20(18)26-23(24)27)25-22(16-11-7-4-8-12-16)21(17)15-9-5-3-6-10-15/h3-14,25H,1-2H3,(H,26,27)
InChIKeyYTNTZPLIMUXVPW-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.73
Rot. Bonds2

About 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one

3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one (PubChem CID 70380554) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one
PubChem CID70380554
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc21
InChIInChI=1S/C24H20N2O/c1-24(2)18-13-17-19(14-20(18)26-23(24)27)25-22(16-11-7-4-8-12-16)21(17)15-9-5-3-6-10-15/h3-14,25H,1-2H3,(H,26,27)
InChIKeyYTNTZPLIMUXVPW-UHFFFAOYSA-N
XLogP5.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one 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 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The IUPAC name of 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one (CID 70380554) is 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The canonical SMILES for 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one is CC1(C)C(=O)Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc21.
What is the InChIKey of 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The InChIKey is YTNTZPLIMUXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-24(2)18-13-17-19(14-20(18)26-23(24)27)25-22(16-11-7-4-8-12-16)21(17)15-9-5-3-6-10-15/h3-14,25H,1-2H3,(H,26,27).
What are the key properties of 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one?
3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one has a molecular weight of 352.44 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one is sourced from PubChem (CID 70380554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).