4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole

C21H19N — CID 130462068

IUPAC4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole
SMILESCc1ccc(C2=CCCc3c2ccn3-c2ccccc2)cc1
InChIInChI=1S/C21H19N/c1-16-10-12-17(13-11-16)19-8-5-9-21-20(19)14-15-22(21)18-6-3-2-4-7-18/h2-4,6-8,10-15H,5,9H2,1H3
InChIKeyFYLQERRGGACADY-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.16
Rot. Bonds2

About 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole

4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole (PubChem CID 130462068) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole
PubChem CID130462068
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole
SMILESCc1ccc(C2=CCCc3c2ccn3-c2ccccc2)cc1
InChIInChI=1S/C21H19N/c1-16-10-12-17(13-11-16)19-8-5-9-21-20(19)14-15-22(21)18-6-3-2-4-7-18/h2-4,6-8,10-15H,5,9H2,1H3
InChIKeyFYLQERRGGACADY-UHFFFAOYSA-N
XLogP5.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
CID 173123090
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CID 10821386
7-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4,5-dihydrodiazepine
CID 143036051
benzene;bis(1,4-xylene)
CID 159472747
5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 616747
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
CID 143665043
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one
CID 118873612
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole?
The IUPAC name of 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole (CID 130462068) is 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole.
What is the SMILES notation for 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole?
The canonical SMILES for 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole is Cc1ccc(C2=CCCc3c2ccn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole?
The InChIKey is FYLQERRGGACADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-16-10-12-17(13-11-16)19-8-5-9-21-20(19)14-15-22(21)18-6-3-2-4-7-18/h2-4,6-8,10-15H,5,9H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole?
4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole has a molecular weight of 285.39 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole is sourced from PubChem (CID 130462068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).