CID 132539732

C18H15N3O6P3+3 — CID 132539732

IUPAC—
SMILESc1ccc2c(c1)O[P+]1(N[P+]3(N[P+]4(N1)Oc1ccccc1O4)Oc1ccccc1O3)O2
InChIInChI=1S/C18H15N3O6P3/c1-2-8-14-13(7-1)22-28(23-14)19-29(24-15-9-3-4-10-16(15)25-29)21-30(20-28)26-17-11-5-6-12-18(17)27-30/h1-12,19-21H/q+3
InChIKeyVSONVARZRJLTEA-UHFFFAOYSA-N
MW462.26 g/mol
LogP5.22
Rot. Bonds

About CID 132539732

CID 132539732 (PubChem CID 132539732) has the molecular formula C18H15N3O6P3+3 and a molecular weight of 462.26 g/mol.

Molecular Properties

Compound NameCID 132539732
PubChem CID132539732
Molecular FormulaC18H15N3O6P3+3
Molecular Weight462.26 g/mol
Exact Mass462.02
IUPAC Name—
SMILESc1ccc2c(c1)O[P+]1(N[P+]3(N[P+]4(N1)Oc1ccccc1O4)Oc1ccccc1O3)O2
InChIInChI=1S/C18H15N3O6P3/c1-2-8-14-13(7-1)22-28(23-14)19-29(24-15-9-3-4-10-16(15)25-29)21-30(20-28)26-17-11-5-6-12-18(17)27-30/h1-12,19-21H/q+3
InChIKeyVSONVARZRJLTEA-UHFFFAOYSA-N
XLogP5.22
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.26
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 132539732?
The IUPAC name of CID 132539732 (CID 132539732) is not available.
What is the SMILES notation for CID 132539732?
The canonical SMILES for CID 132539732 is c1ccc2c(c1)O[P+]1(N[P+]3(N[P+]4(N1)Oc1ccccc1O4)Oc1ccccc1O3)O2.
What is the InChIKey of CID 132539732?
The InChIKey is VSONVARZRJLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6P3/c1-2-8-14-13(7-1)22-28(23-14)19-29(24-15-9-3-4-10-16(15)25-29)21-30(20-28)26-17-11-5-6-12-18(17)27-30/h1-12,19-21H/q+3.
What are the key properties of CID 132539732?
CID 132539732 has a molecular weight of 462.26 g/mol, XLogP of 5.22, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132539732 is sourced from PubChem (CID 132539732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).