CID 59342080

C28H25N3Pt — CID 59342080

IUPAC—
SMILESCN(C)c1cc2[c-]c(c1)-c1cccc(n1)CCc1cccc(n1)CCc1[c-]c-2ccc1.[Pt+2]
InChIInChI=1S/C28H25N3.Pt/c1-31(2)27-18-22-17-23(19-27)28-11-5-10-26(30-28)15-14-25-9-4-8-24(29-25)13-12-20-6-3-7-21(22)16-20;/h3-11,18-19H,12-15H2,1-2H3;/q-2;+2
InChIKeyFHLREXWIJRMSNL-UHFFFAOYSA-N
MW598.61 g/mol
LogP5.36
Rot. Bonds1

About CID 59342080

CID 59342080 (PubChem CID 59342080) has the molecular formula C28H25N3Pt and a molecular weight of 598.61 g/mol.

Molecular Properties

Compound NameCID 59342080
PubChem CID59342080
Molecular FormulaC28H25N3Pt
Molecular Weight598.61 g/mol
Exact Mass598.17
IUPAC Name—
SMILESCN(C)c1cc2[c-]c(c1)-c1cccc(n1)CCc1cccc(n1)CCc1[c-]c-2ccc1.[Pt+2]
InChIInChI=1S/C28H25N3.Pt/c1-31(2)27-18-22-17-23(19-27)28-11-5-10-26(30-28)15-14-25-9-4-8-24(29-25)13-12-20-6-3-7-21(22)16-20;/h3-11,18-19H,12-15H2,1-2H3;/q-2;+2
InChIKeyFHLREXWIJRMSNL-UHFFFAOYSA-N
XLogP5.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.61
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 59342080?
The IUPAC name of CID 59342080 (CID 59342080) is not available.
What is the SMILES notation for CID 59342080?
The canonical SMILES for CID 59342080 is CN(C)c1cc2[c-]c(c1)-c1cccc(n1)CCc1cccc(n1)CCc1[c-]c-2ccc1.[Pt+2].
What is the InChIKey of CID 59342080?
The InChIKey is FHLREXWIJRMSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3.Pt/c1-31(2)27-18-22-17-23(19-27)28-11-5-10-26(30-28)15-14-25-9-4-8-24(29-25)13-12-20-6-3-7-21(22)16-20;/h3-11,18-19H,12-15H2,1-2H3;/q-2;+2.
What are the key properties of CID 59342080?
CID 59342080 has a molecular weight of 598.61 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59342080 is sourced from PubChem (CID 59342080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).