2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline

C31H27N — CID 102335309

IUPAC2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline
SMILESC=C1c2ccc(C)cc2C(c2ccccc2)=C(c2ccccc2)N1c1cc(C)cc(C)c1
InChIInChI=1S/C31H27N/c1-21-15-16-28-24(4)32(27-18-22(2)17-23(3)19-27)31(26-13-9-6-10-14-26)30(29(28)20-21)25-11-7-5-8-12-25/h5-20H,4H2,1-3H3
InChIKeyFZCCBBLBKNIKKR-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.02
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline

2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline (PubChem CID 102335309) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline
PubChem CID102335309
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Name2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline
SMILESC=C1c2ccc(C)cc2C(c2ccccc2)=C(c2ccccc2)N1c1cc(C)cc(C)c1
InChIInChI=1S/C31H27N/c1-21-15-16-28-24(4)32(27-18-22(2)17-23(3)19-27)31(26-13-9-6-10-14-26)30(29(28)20-21)25-11-7-5-8-12-25/h5-20H,4H2,1-3H3
InChIKeyFZCCBBLBKNIKKR-UHFFFAOYSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 59171641
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1-(3,5-dimethylphenyl)-3-ethylsulfanyl-4-phenylpyrrole-2,5-dione
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bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
6-methyl-2,3-diphenyl-1H-indene
CID 102161513
5-methyl-2-phenylbenzenethiol
CID 15805257
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
1,2-dimethyl-3-phenylazirine
CID 45088049

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline (CID 102335309) is 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline is C=C1c2ccc(C)cc2C(c2ccccc2)=C(c2ccccc2)N1c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline?
The InChIKey is FZCCBBLBKNIKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-21-15-16-28-24(4)32(27-18-22(2)17-23(3)19-27)31(26-13-9-6-10-14-26)30(29(28)20-21)25-11-7-5-8-12-25/h5-20H,4H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline?
2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline has a molecular weight of 413.56 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-methyl-1-methylidene-3,4-diphenylisoquinoline is sourced from PubChem (CID 102335309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).