CID 166570663

C34H19N5OPt-2 — CID 166570663

IUPAC—
SMILES[Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2
InChIInChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;
InChIKeyRSWXEHABYNOHBQ-UHFFFAOYSA-N
MW708.64 g/mol
LogP6.67
Rot. Bonds

About CID 166570663

CID 166570663 (PubChem CID 166570663) has the molecular formula C34H19N5OPt-2 and a molecular weight of 708.64 g/mol.

Molecular Properties

Compound NameCID 166570663
PubChem CID166570663
Molecular FormulaC34H19N5OPt-2
Molecular Weight708.64 g/mol
Exact Mass708.12
IUPAC Name—
SMILES[Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2
InChIInChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;
InChIKeyRSWXEHABYNOHBQ-UHFFFAOYSA-N
XLogP6.67
TPSA40.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.64
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 166570663 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 166570663?
The IUPAC name of CID 166570663 (CID 166570663) is not available.
What is the SMILES notation for CID 166570663?
The canonical SMILES for CID 166570663 is [Pt].[c-]1c2cccc1-c1cn3c4ccccc4n(c3n1)-c1ccccc1-[n+]1[c-]n(c3ccccc31)-c1[c-]c(ccc1)O2.
What is the InChIKey of CID 166570663?
The InChIKey is RSWXEHABYNOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5O.Pt/c1-2-14-29-28(13-1)37-22-38(29)31-16-4-6-18-33(31)39-32-17-5-3-15-30(32)36-21-27(35-34(36)39)23-9-7-11-25(19-23)40-26-12-8-10-24(37)20-26;/h1-18,21H;/q-2;.
What are the key properties of CID 166570663?
CID 166570663 has a molecular weight of 708.64 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166570663 is sourced from PubChem (CID 166570663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).