4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene

C16H11N3 — CID 102027913

IUPAC4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene
SMILESc1ccc(-c2cnc3nn4ccccc4c3c2)cc1
InChIInChI=1S/C16H11N3/c1-2-6-12(7-3-1)13-10-14-15-8-4-5-9-19(15)18-16(14)17-11-13/h1-11H
InChIKeyMDDRYIHFXCBCQQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.55
Rot. Bonds1

About 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene

4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene (PubChem CID 102027913) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene.

Molecular Properties

Compound Name4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene
PubChem CID102027913
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene
SMILESc1ccc(-c2cnc3nn4ccccc4c3c2)cc1
InChIInChI=1S/C16H11N3/c1-2-6-12(7-3-1)13-10-14-15-8-4-5-9-19(15)18-16(14)17-11-13/h1-11H
InChIKeyMDDRYIHFXCBCQQ-UHFFFAOYSA-N
XLogP3.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene with MolForge

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Related Compounds

4-chloro-3,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene
CID 102027915
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
CID 134214427
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole
CID 142731240
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)pyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)pyrido[2,3-b]indole;9-phenyl-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 162059375
6-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 117000868
3-chloro-6-phenyl-1,8-naphthyridine
CID 132535071
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086331
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
CID 153460267
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene?
The IUPAC name of 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene (CID 102027913) is 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene.
What is the SMILES notation for 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene?
The canonical SMILES for 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene is c1ccc(-c2cnc3nn4ccccc4c3c2)cc1.
What is the InChIKey of 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene?
The InChIKey is MDDRYIHFXCBCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-6-12(7-3-1)13-10-14-15-8-4-5-9-19(15)18-16(14)17-11-13/h1-11H.
What are the key properties of 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene?
4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene has a molecular weight of 245.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6,8,9-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaene is sourced from PubChem (CID 102027913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).