7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene

C25H22N2 — CID 157293686

IUPAC7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
SMILESC=C1NN=C2c3c(cc(C)cc31)CC(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C25H22N2/c1-16-13-20-15-22(18-9-5-3-6-10-18)23(19-11-7-4-8-12-19)25-24(20)21(14-16)17(2)26-27-25/h3-14,22-23,26H,2,15H2,1H3
InChIKeyYJLDLSHNXRCHEJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.40
Rot. Bonds2

About 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene

7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene (PubChem CID 157293686) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene.

Molecular Properties

Compound Name7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
PubChem CID157293686
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
SMILESC=C1NN=C2c3c(cc(C)cc31)CC(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C25H22N2/c1-16-13-20-15-22(18-9-5-3-6-10-18)23(19-11-7-4-8-12-19)25-24(20)21(14-16)17(2)26-27-25/h3-14,22-23,26H,2,15H2,1H3
InChIKeyYJLDLSHNXRCHEJ-UHFFFAOYSA-N
XLogP5.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The IUPAC name of 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene (CID 157293686) is 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene.
What is the SMILES notation for 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The canonical SMILES for 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene is C=C1NN=C2c3c(cc(C)cc31)CC(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The InChIKey is YJLDLSHNXRCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-16-13-20-15-22(18-9-5-3-6-10-18)23(19-11-7-4-8-12-19)25-24(20)21(14-16)17(2)26-27-25/h3-14,22-23,26H,2,15H2,1H3.
What are the key properties of 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene has a molecular weight of 350.47 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-11,12-diphenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene is sourced from PubChem (CID 157293686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).