4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C16H14N2 — CID 772852

IUPAC4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1
InChIInChI=1S/C16H14N2/c1-2-5-13(6-3-1)14-11-16-15-7-4-8-17(15)9-10-18(16)12-14/h1-8,11-12H,9-10H2
InChIKeyYMCXVVVTRWUWMW-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.64
Rot. Bonds1

About 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 772852) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID772852
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1
InChIInChI=1S/C16H14N2/c1-2-5-13(6-3-1)14-11-16-15-7-4-8-17(15)9-10-18(16)12-14/h1-8,11-12H,9-10H2
InChIKeyYMCXVVVTRWUWMW-UHFFFAOYSA-N
XLogP3.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 772855
CID 136753114
CID 136753114
4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene
CID 72726005
2-(4-bromophenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 778929
1-cyclopropyl-2-phenylpyrrole
CID 134951597
3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
CID 10871181
acetylene;1,1'-biphenyl
CID 161077140
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;cycloheptane
CID 174877368
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,1'-biphenyl;mercury
CID 67099988

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 772852) is 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is c1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1.
What is the InChIKey of 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is YMCXVVVTRWUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-5-13(6-3-1)14-11-16-15-7-4-8-17(15)9-10-18(16)12-14/h1-8,11-12H,9-10H2.
What are the key properties of 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 234.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 772852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).