CID 57806605

C24H10F2N2O2Pt — CID 57806605

IUPAC—
SMILESC1=CC2=[C-]C(=C1)C(=O)C3=CC=CC(=N3)C4=C(C=C(C(=[C-]4)C5=NC(=CC=C5)C2=O)F)F.[Pt+2]
InChIInChI=1S/C24H10F2N2O2.Pt/c25-17-12-18(26)16-11-15(17)19-6-2-8-21(27-19)23(29)13-4-1-5-14(10-13)24(30)22-9-3-7-20(16)28-22;/h1-9,12H;/q-2;+2
InChIKeyNFXUMSVQUHLHOI-UHFFFAOYSA-N
MW591.40 g/mol
LogP—
Rot. Bonds

About CID 57806605

CID 57806605 (PubChem CID 57806605) has the molecular formula C24H10F2N2O2Pt and a molecular weight of 591.40 g/mol.

Molecular Properties

Compound NameCID 57806605
PubChem CID57806605
Molecular FormulaC24H10F2N2O2Pt
Molecular Weight591.40 g/mol
Exact Mass591.04
IUPAC Name—
SMILESC1=CC2=[C-]C(=C1)C(=O)C3=CC=CC(=N3)C4=C(C=C(C(=[C-]4)C5=NC(=CC=C5)C2=O)F)F.[Pt+2]
InChIInChI=1S/C24H10F2N2O2.Pt/c25-17-12-18(26)16-11-15(17)19-6-2-8-21(27-19)23(29)13-4-1-5-14(10-13)24(30)22-9-3-7-20(16)28-22;/h1-9,12H;/q-2;+2
InChIKeyNFXUMSVQUHLHOI-UHFFFAOYSA-N
XLogP—
TPSA59.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity930

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57806605?
The IUPAC name of CID 57806605 (CID 57806605) is not available.
What is the SMILES notation for CID 57806605?
The canonical SMILES for CID 57806605 is C1=CC2=[C-]C(=C1)C(=O)C3=CC=CC(=N3)C4=C(C=C(C(=[C-]4)C5=NC(=CC=C5)C2=O)F)F.[Pt+2].
What is the InChIKey of CID 57806605?
The InChIKey is NFXUMSVQUHLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F2N2O2.Pt/c25-17-12-18(26)16-11-15(17)19-6-2-8-21(27-19)23(29)13-4-1-5-14(10-13)24(30)22-9-3-7-20(16)28-22;/h1-9,12H;/q-2;+2.
What are the key properties of CID 57806605?
CID 57806605 has a molecular weight of 591.40 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57806605 is sourced from PubChem (CID 57806605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).