bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride

C40H43ClN4Pt2 — CID 5256300

IUPACbis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride
SMILESCl.[Pt+2].[Pt].[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1.[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1
InChIInChI=1S/2C20H21N2.ClH.2Pt/c2*1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;;/h2*1-6,9-11,15-16,19-20H,7-8,13-14H2;1H;;/q2*-1;;;+2/b2*21-15-,22-16+;;;
InChIKeyGDNZJNSXFCDUFA-DTRWTWSXSA-N
MW1005.42 g/mol
LogP9.09
Rot. Bonds8

About bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride

bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride (PubChem CID 5256300) has the molecular formula C40H43ClN4Pt2 and a molecular weight of 1005.42 g/mol. Its IUPAC name is bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride.

Molecular Properties

Compound Namebis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride
PubChem CID5256300
Molecular FormulaC40H43ClN4Pt2
Molecular Weight1005.42 g/mol
Exact Mass1004.25
IUPAC Namebis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride
SMILESCl.[Pt+2].[Pt].[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1.[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1
InChIInChI=1S/2C20H21N2.ClH.2Pt/c2*1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;;/h2*1-6,9-11,15-16,19-20H,7-8,13-14H2;1H;;/q2*-1;;;+2/b2*21-15-,22-16+;;;
InChIKeyGDNZJNSXFCDUFA-DTRWTWSXSA-N
XLogP9.09
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.42
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride?
The IUPAC name of bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride (CID 5256300) is bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride.
What is the SMILES notation for bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride?
The canonical SMILES for bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride is Cl.[Pt+2].[Pt].[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1.[c-]1ccccc1/C=N/C1CCCCC1/N=C\c1ccccc1.
What is the InChIKey of bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride?
The InChIKey is GDNZJNSXFCDUFA-DTRWTWSXSA-N. The full InChI is InChI=1S/2C20H21N2.ClH.2Pt/c2*1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;;/h2*1-6,9-11,15-16,19-20H,7-8,13-14H2;1H;;/q2*-1;;;+2/b2*21-15-,22-16+;;;.
What are the key properties of bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride?
bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride has a molecular weight of 1005.42 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride is sourced from PubChem (CID 5256300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).