CID 58637622

C21H11N3Pt — CID 58637622

IUPAC—
SMILES[Pt+2].[c-]1c2cccc1c1nc(cc3[c-]c(ccc3)c3nc(c2)C=N3)C=C1
InChIInChI=1S/C21H11N3.Pt/c1-3-14-9-16(5-1)20-8-7-18(23-20)11-15-4-2-6-17(10-15)21-22-13-19(12-14)24-21;/h1-8,11-13H;/q-2;+2/b18-11-,19-12-;
InChIKeyCKZDDALADPPGDE-HVFWTISNSA-N
MW500.42 g/mol
LogP4.62
Rot. Bonds

About CID 58637622

CID 58637622 (PubChem CID 58637622) has the molecular formula C21H11N3Pt and a molecular weight of 500.42 g/mol.

Molecular Properties

Compound NameCID 58637622
PubChem CID58637622
Molecular FormulaC21H11N3Pt
Molecular Weight500.42 g/mol
Exact Mass500.06
IUPAC Name—
SMILES[Pt+2].[c-]1c2cccc1c1nc(cc3[c-]c(ccc3)c3nc(c2)C=N3)C=C1
InChIInChI=1S/C21H11N3.Pt/c1-3-14-9-16(5-1)20-8-7-18(23-20)11-15-4-2-6-17(10-15)21-22-13-19(12-14)24-21;/h1-8,11-13H;/q-2;+2/b18-11-,19-12-;
InChIKeyCKZDDALADPPGDE-HVFWTISNSA-N
XLogP4.62
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.62
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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Related Compounds

1H-indolo[2,3-b][1,6]naphthyridine
CID 21886795
CID 57759280
CID 57759280
CID 57759383
CID 57759383
CID 57759781
CID 57759781
CID 57759899
CID 57759899
8,9-Dihydronaphtho[2,3-b][1,8]naphthyridine
CID 130290929

Frequently Asked Questions

What is the IUPAC name of CID 58637622?
The IUPAC name of CID 58637622 (CID 58637622) is not available.
What is the SMILES notation for CID 58637622?
The canonical SMILES for CID 58637622 is [Pt+2].[c-]1c2cccc1c1nc(cc3[c-]c(ccc3)c3nc(c2)C=N3)C=C1.
What is the InChIKey of CID 58637622?
The InChIKey is CKZDDALADPPGDE-HVFWTISNSA-N. The full InChI is InChI=1S/C21H11N3.Pt/c1-3-14-9-16(5-1)20-8-7-18(23-20)11-15-4-2-6-17(10-15)21-22-13-19(12-14)24-21;/h1-8,11-13H;/q-2;+2/b18-11-,19-12-;.
What are the key properties of CID 58637622?
CID 58637622 has a molecular weight of 500.42 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58637622 is sourced from PubChem (CID 58637622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).