5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

C23H21N3 — CID 25157979

IUPAC5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1cnc2c(c1)nc1n2CC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H21N3/c1-17-14-20-22(24-15-17)26-16-23(13-12-21(26)25-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-15H,12-13,16H2,1H3
InChIKeyRIEBDTAJEQVGQF-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.67
Rot. Bonds2

About 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (PubChem CID 25157979) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
PubChem CID25157979
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1cnc2c(c1)nc1n2CC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H21N3/c1-17-14-20-22(24-15-17)26-16-23(13-12-21(26)25-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-15H,12-13,16H2,1H3
InChIKeyRIEBDTAJEQVGQF-UHFFFAOYSA-N
XLogP4.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The IUPAC name of 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (CID 25157979) is 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.
What is the SMILES notation for 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The canonical SMILES for 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is Cc1cnc2c(c1)nc1n2CC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The InChIKey is RIEBDTAJEQVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-17-14-20-22(24-15-17)26-16-23(13-12-21(26)25-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene has a molecular weight of 339.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-12,12-diphenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is sourced from PubChem (CID 25157979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).