CID 59645645

C32H25F3N8Pt — CID 59645645

IUPAC—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
InChIInChI=1S/C32H25F3N8.Pt/c1-30(2,3)28-36-20-42(40-28)26-18-10-16-24(38-26)31(22-12-6-4-7-13-22,23-14-8-5-9-15-23)25-17-11-19-27(39-25)43-21-37-29(41-43)32(33,34)35;/h4-19H,1-3H3;/q-2;+2
InChIKeyXEGZCIFATQACAP-UHFFFAOYSA-N
MW773.68 g/mol
LogP5.93
Rot. Bonds6

About CID 59645645

CID 59645645 (PubChem CID 59645645) has the molecular formula C32H25F3N8Pt and a molecular weight of 773.68 g/mol.

Molecular Properties

Compound NameCID 59645645
PubChem CID59645645
Molecular FormulaC32H25F3N8Pt
Molecular Weight773.68 g/mol
Exact Mass773.18
IUPAC Name—
SMILESCC(C)(C)c1n[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
InChIInChI=1S/C32H25F3N8.Pt/c1-30(2,3)28-36-20-42(40-28)26-18-10-16-24(38-26)31(22-12-6-4-7-13-22,23-14-8-5-9-15-23)25-17-11-19-27(39-25)43-21-37-29(41-43)32(33,34)35;/h4-19H,1-3H3;/q-2;+2
InChIKeyXEGZCIFATQACAP-UHFFFAOYSA-N
XLogP5.93
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.68
LogP ≤ 55.93
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 59645645?
The IUPAC name of CID 59645645 (CID 59645645) is not available.
What is the SMILES notation for CID 59645645?
The canonical SMILES for CID 59645645 is CC(C)(C)c1n[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].
What is the InChIKey of CID 59645645?
The InChIKey is XEGZCIFATQACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N8.Pt/c1-30(2,3)28-36-20-42(40-28)26-18-10-16-24(38-26)31(22-12-6-4-7-13-22,23-14-8-5-9-15-23)25-17-11-19-27(39-25)43-21-37-29(41-43)32(33,34)35;/h4-19H,1-3H3;/q-2;+2.
What are the key properties of CID 59645645?
CID 59645645 has a molecular weight of 773.68 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59645645 is sourced from PubChem (CID 59645645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).