CID 102075869

C24H16Cl4N4O4P4 — CID 102075869

IUPAC—
SMILESClP1(Cl)=NP(Cl)(Cl)=NP2(=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-c1ccccc1O2
InChIInChI=1S/C24H16Cl4N4O4P4/c25-37(26)29-38(27,28)31-40(35-23-15-7-3-11-19(23)20-12-4-8-16-24(20)36-40)32-39(30-37)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-39/h1-16H
InChIKeyGYPNNKNDGSDSAU-UHFFFAOYSA-N
MW690.12 g/mol
LogP13.02
Rot. Bonds

About CID 102075869

CID 102075869 (PubChem CID 102075869) has the molecular formula C24H16Cl4N4O4P4 and a molecular weight of 690.12 g/mol.

Molecular Properties

Compound NameCID 102075869
PubChem CID102075869
Molecular FormulaC24H16Cl4N4O4P4
Molecular Weight690.12 g/mol
Exact Mass687.89
IUPAC Name—
SMILESClP1(Cl)=NP(Cl)(Cl)=NP2(=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-c1ccccc1O2
InChIInChI=1S/C24H16Cl4N4O4P4/c25-37(26)29-38(27,28)31-40(35-23-15-7-3-11-19(23)20-12-4-8-16-24(20)36-40)32-39(30-37)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-39/h1-16H
InChIKeyGYPNNKNDGSDSAU-UHFFFAOYSA-N
XLogP13.02
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.12
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 102075869?
The IUPAC name of CID 102075869 (CID 102075869) is not available.
What is the SMILES notation for CID 102075869?
The canonical SMILES for CID 102075869 is ClP1(Cl)=NP(Cl)(Cl)=NP2(=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-c1ccccc1O2.
What is the InChIKey of CID 102075869?
The InChIKey is GYPNNKNDGSDSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl4N4O4P4/c25-37(26)29-38(27,28)31-40(35-23-15-7-3-11-19(23)20-12-4-8-16-24(20)36-40)32-39(30-37)33-21-13-5-1-9-17(21)18-10-2-6-14-22(18)34-39/h1-16H.
What are the key properties of CID 102075869?
CID 102075869 has a molecular weight of 690.12 g/mol, XLogP of 13.02, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102075869 is sourced from PubChem (CID 102075869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).