1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one

C37H31FN2O — CID 139146413

IUPAC1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one
SMILESCc1ccc(-c2c(-c3c(-c4ccccc4)[nH]c4ccccc34)c3c(n2-c2ccc(F)cc2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C37H31FN2O/c1-23-13-15-25(16-14-23)36-34(32-28-11-7-8-12-29(28)39-35(32)24-9-5-4-6-10-24)33-30(21-37(2,3)22-31(33)41)40(36)27-19-17-26(38)18-20-27/h4-20,39H,21-22H2,1-3H3
InChIKeyOHNFYZPROGFYEQ-UHFFFAOYSA-N
MW538.67 g/mol
LogP9.56
Rot. Bonds4

About 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one

1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one (PubChem CID 139146413) has the molecular formula C37H31FN2O and a molecular weight of 538.67 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one
PubChem CID139146413
Molecular FormulaC37H31FN2O
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one
SMILESCc1ccc(-c2c(-c3c(-c4ccccc4)[nH]c4ccccc34)c3c(n2-c2ccc(F)cc2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C37H31FN2O/c1-23-13-15-25(16-14-23)36-34(32-28-11-7-8-12-29(28)39-35(32)24-9-5-4-6-10-24)33-30(21-37(2,3)22-31(33)41)40(36)27-19-17-26(38)18-20-27/h4-20,39H,21-22H2,1-3H3
InChIKeyOHNFYZPROGFYEQ-UHFFFAOYSA-N
XLogP9.56
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-methoxy-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 102493879
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
CID 159156662
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
CID 5298292
3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2,6,6-trimethyl-1-phenyl-5,7-dihydroindol-4-one
CID 3088568
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
7,7-dimethyl-1-(4-methylphenyl)-2-phenyl-6,8-dihydro-5H-pyrrolo[3,2-c]azepin-4-one
CID 13140971
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
CID 20864880

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one (CID 139146413) is 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one is Cc1ccc(-c2c(-c3c(-c4ccccc4)[nH]c4ccccc34)c3c(n2-c2ccc(F)cc2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one?
The InChIKey is OHNFYZPROGFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FN2O/c1-23-13-15-25(16-14-23)36-34(32-28-11-7-8-12-29(28)39-35(32)24-9-5-4-6-10-24)33-30(21-37(2,3)22-31(33)41)40(36)27-19-17-26(38)18-20-27/h4-20,39H,21-22H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one?
1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one has a molecular weight of 538.67 g/mol, XLogP of 9.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3-(2-phenyl-1H-indol-3-yl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 139146413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).