11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine

C13H9N7 — CID 66495701

IUPAC11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine
SMILES[H]/N=c1\c2nnc3ncnn3c2ccn1-c1ccccc1
InChIInChI=1S/C13H9N7/c14-12-11-10(20-13(18-17-11)15-8-16-20)6-7-19(12)9-4-2-1-3-5-9/h1-8,14H/b14-12+
InChIKeyHFLSZNPTRBZVFM-WYMLVPIESA-N
MW263.26 g/mol
LogP0.94
Rot. Bonds1

About 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine

11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine (PubChem CID 66495701) has the molecular formula C13H9N7 and a molecular weight of 263.26 g/mol. Its IUPAC name is 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine.

Molecular Properties

Compound Name11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine
PubChem CID66495701
Molecular FormulaC13H9N7
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine
SMILES[H]/N=c1\c2nnc3ncnn3c2ccn1-c1ccccc1
InChIInChI=1S/C13H9N7/c14-12-11-10(20-13(18-17-11)15-8-16-20)6-7-19(12)9-4-2-1-3-5-9/h1-8,14H/b14-12+
InChIKeyHFLSZNPTRBZVFM-WYMLVPIESA-N
XLogP0.94
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine?
The IUPAC name of 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine (CID 66495701) is 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine.
What is the SMILES notation for 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine?
The canonical SMILES for 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine is [H]/N=c1\c2nnc3ncnn3c2ccn1-c1ccccc1.
What is the InChIKey of 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine?
The InChIKey is HFLSZNPTRBZVFM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H9N7/c14-12-11-10(20-13(18-17-11)15-8-16-20)6-7-19(12)9-4-2-1-3-5-9/h1-8,14H/b14-12+.
What are the key properties of 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine?
11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine has a molecular weight of 263.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-imine is sourced from PubChem (CID 66495701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).