carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum

C21H17N2Pt-3 — CID 162490671

IUPACcarbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum
SMILES[CH3-].[Pt].[c-]1ccccc1/C=N\c1ccccc1/N=C/c1[c-]cccc1
InChIInChI=1S/C20H14N2.CH3.Pt/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;/h1-9,11,13-16H;1H3;/q-2;-1;/b21-15-,22-16+;;
InChIKeyXMCIFLBDYRUGRB-ZKWTVRRCSA-N
MW492.46 g/mol
LogP5.24
Rot. Bonds4

About carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum

carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum (PubChem CID 162490671) has the molecular formula C21H17N2Pt-3 and a molecular weight of 492.46 g/mol. Its IUPAC name is carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum.

Molecular Properties

Compound Namecarbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum
PubChem CID162490671
Molecular FormulaC21H17N2Pt-3
Molecular Weight492.46 g/mol
Exact Mass492.11
IUPAC Namecarbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum
SMILES[CH3-].[Pt].[c-]1ccccc1/C=N\c1ccccc1/N=C/c1[c-]cccc1
InChIInChI=1S/C20H14N2.CH3.Pt/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;/h1-9,11,13-16H;1H3;/q-2;-1;/b21-15-,22-16+;;
InChIKeyXMCIFLBDYRUGRB-ZKWTVRRCSA-N
XLogP5.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-phenylmethanimine;platinum
CID 58233129
benzaldehyde;carbanide;tungsten(2+)
CID 20660194
[(Z)-2-phenylethenyl]benzene
CID 101447651
palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
CID 58233159
potassium phenylmethylideneazanide
CID 59945790
phenylmethylideneazanide;yttrium
CID 58999598
magnesium;thiobenzaldehyde;bromide
CID 19909426
dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
CID 161426906
ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
CID 91466095
CID 166041879
CID 166041879
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
4-[[2-[(4-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 135633900

Frequently Asked Questions

What is the IUPAC name of carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum?
The IUPAC name of carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum (CID 162490671) is carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum.
What is the SMILES notation for carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum?
The canonical SMILES for carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum is [CH3-].[Pt].[c-]1ccccc1/C=N\c1ccccc1/N=C/c1[c-]cccc1.
What is the InChIKey of carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum?
The InChIKey is XMCIFLBDYRUGRB-ZKWTVRRCSA-N. The full InChI is InChI=1S/C20H14N2.CH3.Pt/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;/h1-9,11,13-16H;1H3;/q-2;-1;/b21-15-,22-16+;;.
What are the key properties of carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum?
carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum has a molecular weight of 492.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum is sourced from PubChem (CID 162490671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).