8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C20H12N4P2 — CID 139551451

IUPAC8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)c1cnccc1p2-p1c2ccncc2c2cnccc21
InChIInChI=1S/C20H12N4P2/c1-5-21-9-13-14-10-22-6-2-18(14)25(17(1)13)26-19-3-7-23-11-15(19)16-12-24-8-4-20(16)26/h1-12H
InChIKeyOGBDDVGQHIPTEV-UHFFFAOYSA-N
MW370.29 g/mol
LogP6.16
Rot. Bonds1

About 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 139551451) has the molecular formula C20H12N4P2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID139551451
Molecular FormulaC20H12N4P2
Molecular Weight370.29 g/mol
Exact Mass370.05
IUPAC Name8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)c1cnccc1p2-p1c2ccncc2c2cnccc21
InChIInChI=1S/C20H12N4P2/c1-5-21-9-13-14-10-22-6-2-18(14)25(17(1)13)26-19-3-7-23-11-15(19)16-12-24-8-4-20(16)26/h1-12H
InChIKeyOGBDDVGQHIPTEV-UHFFFAOYSA-N
XLogP6.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 139551451) is 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2c(cn1)c1cnccc1p2-p1c2ccncc2c2cnccc21.
What is the InChIKey of 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is OGBDDVGQHIPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4P2/c1-5-21-9-13-14-10-22-6-2-18(14)25(17(1)13)26-19-3-7-23-11-15(19)16-12-24-8-4-20(16)26/h1-12H.
What are the key properties of 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 370.29 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4,12-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 139551451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).