10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C18H12N6 — CID 10935869

IUPAC10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3ncn4ncnc4c23)cc1
InChIInChI=1S/C18H12N6/c1-3-7-13(8-4-1)16-15-17-19-11-21-23(17)12-20-18(15)24(22-16)14-9-5-2-6-10-14/h1-12H
InChIKeyXSQKWFHSXISBSD-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.13
Rot. Bonds2

About 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 10935869) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID10935869
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3ncn4ncnc4c23)cc1
InChIInChI=1S/C18H12N6/c1-3-7-13(8-4-1)16-15-17-19-11-21-23(17)12-20-18(15)24(22-16)14-9-5-2-6-10-14/h1-12H
InChIKeyXSQKWFHSXISBSD-UHFFFAOYSA-N
XLogP3.13
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
(12Z)-11-methyl-3,5-diphenyl-12-(phenylhydrazinylidene)-4,5,7,9,10,14-hexazatricyclo[7.5.0.02,6]tetradeca-1(14),2(6),3,7,10-pentaen-13-one
CID 102033374
5-naphthalen-1-yl-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136493
5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136488
12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2755490
5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 91124954
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86766176
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361

Frequently Asked Questions

What is the IUPAC name of 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 10935869) is 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is c1ccc(-c2nn(-c3ccccc3)c3ncn4ncnc4c23)cc1.
What is the InChIKey of 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is XSQKWFHSXISBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-3-7-13(8-4-1)16-15-17-19-11-21-23(17)12-20-18(15)24(22-16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 312.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 10935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).