4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline

C31H27NO2S — CID 24806942

IUPAC4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
SMILESCc1ccc(S(=O)(=O)N2CC(=C=C(c3ccccc3)c3ccccc3)c3cc(C)ccc3C2)cc1
InChIInChI=1S/C31H27NO2S/c1-23-14-17-29(18-15-23)35(33,34)32-21-27-16-13-24(2)19-30(27)28(22-32)20-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-19H,21-22H2,1-2H3
InChIKeyGVXCVXQNIOXPAM-UHFFFAOYSA-N
MW477.63 g/mol
LogP6.62
Rot. Bonds4

About 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline

4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline (PubChem CID 24806942) has the molecular formula C31H27NO2S and a molecular weight of 477.63 g/mol. Its IUPAC name is 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
PubChem CID24806942
Molecular FormulaC31H27NO2S
Molecular Weight477.63 g/mol
Exact Mass477.18
IUPAC Name4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
SMILESCc1ccc(S(=O)(=O)N2CC(=C=C(c3ccccc3)c3ccccc3)c3cc(C)ccc3C2)cc1
InChIInChI=1S/C31H27NO2S/c1-23-14-17-29(18-15-23)35(33,34)32-21-27-16-13-24(2)19-30(27)28(22-32)20-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-19H,21-22H2,1-2H3
InChIKeyGVXCVXQNIOXPAM-UHFFFAOYSA-N
XLogP6.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
4-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 102380568
5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
6-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzazepine
CID 122218585
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
4-iodo-2-(4-methylphenyl)sulfonyl-1,3-dihydrobenzo[f]isoindole
CID 102187535
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 132990624
4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 25147239
2-(benzenesulfonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82177450

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The IUPAC name of 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline (CID 24806942) is 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The canonical SMILES for 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline is Cc1ccc(S(=O)(=O)N2CC(=C=C(c3ccccc3)c3ccccc3)c3cc(C)ccc3C2)cc1.
What is the InChIKey of 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The InChIKey is GVXCVXQNIOXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO2S/c1-23-14-17-29(18-15-23)35(33,34)32-21-27-16-13-24(2)19-30(27)28(22-32)20-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-19H,21-22H2,1-2H3.
What are the key properties of 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline has a molecular weight of 477.63 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenylidene)-6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 24806942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).