CID 58943936

C26H16N8Pt — CID 58943936

IUPAC—
SMILES[Pt+2].[c-]1cccc2c1c1nc(CCc3cn4c(n3)c3[c-]cccc3n3ccnc34)cn1c1nccn21
InChIInChI=1S/C26H16N8.Pt/c1-3-7-21-19(5-1)23-29-17(15-33(23)25-27-11-13-31(21)25)9-10-18-16-34-24(30-18)20-6-2-4-8-22(20)32-14-12-28-26(32)34;/h1-4,7-8,11-16H,9-10H2;/q-2;+2
InChIKeyVASAJWQUVMCLHK-UHFFFAOYSA-N
MW635.55 g/mol
LogP3.97
Rot. Bonds3

About CID 58943936

CID 58943936 (PubChem CID 58943936) has the molecular formula C26H16N8Pt and a molecular weight of 635.55 g/mol.

Molecular Properties

Compound NameCID 58943936
PubChem CID58943936
Molecular FormulaC26H16N8Pt
Molecular Weight635.55 g/mol
Exact Mass635.11
IUPAC Name—
SMILES[Pt+2].[c-]1cccc2c1c1nc(CCc3cn4c(n3)c3[c-]cccc3n3ccnc34)cn1c1nccn21
InChIInChI=1S/C26H16N8.Pt/c1-3-7-21-19(5-1)23-29-17(15-33(23)25-27-11-13-31(21)25)9-10-18-16-34-24(30-18)20-6-2-4-8-22(20)32-14-12-28-26(32)34;/h1-4,7-8,11-16H,9-10H2;/q-2;+2
InChIKeyVASAJWQUVMCLHK-UHFFFAOYSA-N
XLogP3.97
TPSA69.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.55
LogP ≤ 53.97
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 58943936?
The IUPAC name of CID 58943936 (CID 58943936) is not available.
What is the SMILES notation for CID 58943936?
The canonical SMILES for CID 58943936 is [Pt+2].[c-]1cccc2c1c1nc(CCc3cn4c(n3)c3[c-]cccc3n3ccnc34)cn1c1nccn21.
What is the InChIKey of CID 58943936?
The InChIKey is VASAJWQUVMCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N8.Pt/c1-3-7-21-19(5-1)23-29-17(15-33(23)25-27-11-13-31(21)25)9-10-18-16-34-24(30-18)20-6-2-4-8-22(20)32-14-12-28-26(32)34;/h1-4,7-8,11-16H,9-10H2;/q-2;+2.
What are the key properties of CID 58943936?
CID 58943936 has a molecular weight of 635.55 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58943936 is sourced from PubChem (CID 58943936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).