CID 59342171

C28H20N2O2Pt — CID 59342171

IUPAC—
SMILESCC(C)(C)c1cc2[c-]c(c1)C(=O)c1cccc(n1)-c1cccc(n1)-c1[c-]c(ccc1)C2=O.[Pt+2]
InChIInChI=1S/C28H20N2O2.Pt/c1-28(2,3)21-15-19-14-20(16-21)27(32)25-12-6-11-24(30-25)23-10-5-9-22(29-23)17-7-4-8-18(13-17)26(19)31;/h4-12,15-16H,1-3H3;/q-2;+2
InChIKeyGMZSLQBJKKAZJF-UHFFFAOYSA-N
MW611.56 g/mol
LogP5.48
Rot. Bonds

About CID 59342171

CID 59342171 (PubChem CID 59342171) has the molecular formula C28H20N2O2Pt and a molecular weight of 611.56 g/mol.

Molecular Properties

Compound NameCID 59342171
PubChem CID59342171
Molecular FormulaC28H20N2O2Pt
Molecular Weight611.56 g/mol
Exact Mass611.12
IUPAC Name—
SMILESCC(C)(C)c1cc2[c-]c(c1)C(=O)c1cccc(n1)-c1cccc(n1)-c1[c-]c(ccc1)C2=O.[Pt+2]
InChIInChI=1S/C28H20N2O2.Pt/c1-28(2,3)21-15-19-14-20(16-21)27(32)25-12-6-11-24(30-25)23-10-5-9-22(29-23)17-7-4-8-18(13-17)26(19)31;/h4-12,15-16H,1-3H3;/q-2;+2
InChIKeyGMZSLQBJKKAZJF-UHFFFAOYSA-N
XLogP5.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 59342171?
The IUPAC name of CID 59342171 (CID 59342171) is not available.
What is the SMILES notation for CID 59342171?
The canonical SMILES for CID 59342171 is CC(C)(C)c1cc2[c-]c(c1)C(=O)c1cccc(n1)-c1cccc(n1)-c1[c-]c(ccc1)C2=O.[Pt+2].
What is the InChIKey of CID 59342171?
The InChIKey is GMZSLQBJKKAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2.Pt/c1-28(2,3)21-15-19-14-20(16-21)27(32)25-12-6-11-24(30-25)23-10-5-9-22(29-23)17-7-4-8-18(13-17)26(19)31;/h4-12,15-16H,1-3H3;/q-2;+2.
What are the key properties of CID 59342171?
CID 59342171 has a molecular weight of 611.56 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59342171 is sourced from PubChem (CID 59342171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).