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

C20H14N4O — CID 666263

IUPAC4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1
InChIInChI=1S/C20H14N4O/c1-13-22-19-17-16(14-8-4-2-5-9-14)18(15-10-6-3-7-11-15)25-20(17)21-12-24(19)23-13/h2-12H,1H3
InChIKeyVCXZUCYUBMBQHQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.51
Rot. Bonds2

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

4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 666263) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID666263
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1
InChIInChI=1S/C20H14N4O/c1-13-22-19-17-16(14-8-4-2-5-9-14)18(15-10-6-3-7-11-15)25-20(17)21-12-24(19)23-13/h2-12H,1H3
InChIKeyVCXZUCYUBMBQHQ-UHFFFAOYSA-N
XLogP4.51
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 666263) is 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1.
What is the InChIKey of 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is VCXZUCYUBMBQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-13-22-19-17-16(14-8-4-2-5-9-14)18(15-10-6-3-7-11-15)25-20(17)21-12-24(19)23-13/h2-12H,1H3.
What are the key properties of 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 326.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 666263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).