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

C28H18N6 — CID 25136493

IUPAC5-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
SMILESc1ccc(-c2nn(-c3ccccc3)c3ncn4c(-c5cccc6ccccc56)nnc4c23)cc1
InChIInChI=1S/C28H18N6/c1-3-11-20(12-4-1)25-24-27(34(32-25)21-14-5-2-6-15-21)29-18-33-26(30-31-28(24)33)23-17-9-13-19-10-7-8-16-22(19)23/h1-18H
InChIKeyJGKKHJALUSJAGT-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.95
Rot. Bonds3

About 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

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 (PubChem CID 25136493) has the molecular formula C28H18N6 and a molecular weight of 438.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID25136493
Molecular FormulaC28H18N6
Molecular Weight438.49 g/mol
Exact Mass438.16
IUPAC Name5-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
SMILESc1ccc(-c2nn(-c3ccccc3)c3ncn4c(-c5cccc6ccccc56)nnc4c23)cc1
InChIInChI=1S/C28H18N6/c1-3-11-20(12-4-1)25-24-27(34(32-25)21-14-5-2-6-15-21)29-18-33-26(30-31-28(24)33)23-17-9-13-19-10-7-8-16-22(19)23/h1-18H
InChIKeyJGKKHJALUSJAGT-UHFFFAOYSA-N
XLogP5.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441665
4-(2-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]quinoline
CID 102055178
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 131737534
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
N-benzyl-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799160
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nn(-c3ccccc3)c3ncn4c(-c5cccc6ccccc56)nnc4c23)cc1.
What is the InChIKey of 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?
The InChIKey is JGKKHJALUSJAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N6/c1-3-11-20(12-4-1)25-24-27(34(32-25)21-14-5-2-6-15-21)29-18-33-26(30-31-28(24)33)23-17-9-13-19-10-7-8-16-22(19)23/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 438.49 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25136493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).