6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C16H11N3 — CID 15319205

IUPAC6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2ccnc3c2[nH]c2ncccc23)cc1
InChIInChI=1S/C16H11N3/c1-2-5-11(6-3-1)12-8-10-17-14-13-7-4-9-18-16(13)19-15(12)14/h1-10H,(H,18,19)
InChIKeyGEEARZBVBSWJGF-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 15319205) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID15319205
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2ccnc3c2[nH]c2ncccc23)cc1
InChIInChI=1S/C16H11N3/c1-2-5-11(6-3-1)12-8-10-17-14-13-7-4-9-18-16(13)19-15(12)14/h1-10H,(H,18,19)
InChIKeyGEEARZBVBSWJGF-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
CID 144569314
4-phenyl-1,8-naphthyridine
CID 21147452
2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 119012312
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489
trimethyl-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)silane
CID 86188876
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
CID 174617508
CID 174617508
6-(4-tert-butylphenyl)-4-(4-chlorophenyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 102048271
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
bis(5-phenylquinolin-8-ol);zinc
CID 59818569

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 15319205) is 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-c2ccnc3c2[nH]c2ncccc23)cc1.
What is the InChIKey of 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is GEEARZBVBSWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-5-11(6-3-1)12-8-10-17-14-13-7-4-9-18-16(13)19-15(12)14/h1-10H,(H,18,19).
What are the key properties of 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 15319205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).