carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum

C25H39N2Pt-3 — CID 157389152

IUPACcarbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum
SMILESC.CC.CC.CC.Cc1[c-]c(Cc2[c-]c(-n3cccn3)ccc2)ccc1.[CH3-].[Pt]
InChIInChI=1S/C17H14N2.3C2H6.CH4.CH3.Pt/c1-14-5-2-6-15(11-14)12-16-7-3-8-17(13-16)19-10-4-9-18-19;3*1-2;;;/h2-10H,12H2,1H3;3*1-2H3;1H4;1H3;/q-2;;;;;-1;
InChIKeyBYSMURUDCJSPCU-UHFFFAOYSA-N
MW562.68 g/mol
LogP7.53
Rot. Bonds3

About carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum

carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum (PubChem CID 157389152) has the molecular formula C25H39N2Pt-3 and a molecular weight of 562.68 g/mol. Its IUPAC name is carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum.

Molecular Properties

Compound Namecarbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum
PubChem CID157389152
Molecular FormulaC25H39N2Pt-3
Molecular Weight562.68 g/mol
Exact Mass562.28
IUPAC Namecarbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum
SMILESC.CC.CC.CC.Cc1[c-]c(Cc2[c-]c(-n3cccn3)ccc2)ccc1.[CH3-].[Pt]
InChIInChI=1S/C17H14N2.3C2H6.CH4.CH3.Pt/c1-14-5-2-6-15(11-14)12-16-7-3-8-17(13-16)19-10-4-9-18-19;3*1-2;;;/h2-10H,12H2,1H3;3*1-2H3;1H4;1H3;/q-2;;;;;-1;
InChIKeyBYSMURUDCJSPCU-UHFFFAOYSA-N
XLogP7.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum 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 carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum?
The IUPAC name of carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum (CID 157389152) is carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum.
What is the SMILES notation for carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum?
The canonical SMILES for carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum is C.CC.CC.CC.Cc1[c-]c(Cc2[c-]c(-n3cccn3)ccc2)ccc1.[CH3-].[Pt].
What is the InChIKey of carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum?
The InChIKey is BYSMURUDCJSPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.3C2H6.CH4.CH3.Pt/c1-14-5-2-6-15(11-14)12-16-7-3-8-17(13-16)19-10-4-9-18-19;3*1-2;;;/h2-10H,12H2,1H3;3*1-2H3;1H4;1H3;/q-2;;;;;-1;.
What are the key properties of carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum?
carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum has a molecular weight of 562.68 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum is sourced from PubChem (CID 157389152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).