dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium

C22H26Cl2N2O2Sn+2 — CID 4569372

IUPACdichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
SMILESCl[Sn]Cl.[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2.2ClH.Sn/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;;;/h3-12H,13-16H2,1-2H3;2*1H;/q;;;+2/b23-17+,24-18+;;;
InChIKeyXFUFHKUWGBCWMV-WACBHLOPSA-N
MW540.08 g/mol
LogP4.87
Rot. Bonds9

About dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium

dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium (PubChem CID 4569372) has the molecular formula C22H26Cl2N2O2Sn+2 and a molecular weight of 540.08 g/mol. Its IUPAC name is dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium.

Molecular Properties

Compound Namedichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
PubChem CID4569372
Molecular FormulaC22H26Cl2N2O2Sn+2
Molecular Weight540.08 g/mol
Exact Mass540.04
IUPAC Namedichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
SMILESCl[Sn]Cl.[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2.2ClH.Sn/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;;;/h3-12H,13-16H2,1-2H3;2*1H;/q;;;+2/b23-17+,24-18+;;;
InChIKeyXFUFHKUWGBCWMV-WACBHLOPSA-N
XLogP4.87
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.08
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium with MolForge

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Related Compounds

nickel;bis((1-phenyl-3-phenyliminobutylidene)oxidanium)
CID 5181668
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
CID 6711846
CID 6711846
copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
CID 50912491
3-(2-aminoethylimino)-1-phenylbutan-1-one
CID 71353116
copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
CID 3847635
[chloro(phenyl)methylidene]oxidanium
CID 134973478
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
CID 134863341
CID 134863341
ethyloxidanium;bis([(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium);titanium
CID 22834011
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985

Frequently Asked Questions

What is the IUPAC name of dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium?
The IUPAC name of dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium (CID 4569372) is dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium.
What is the SMILES notation for dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium?
The canonical SMILES for dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium is Cl[Sn]Cl.[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]/[H])c1ccccc1)c1ccccc1.
What is the InChIKey of dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium?
The InChIKey is XFUFHKUWGBCWMV-WACBHLOPSA-N. The full InChI is InChI=1S/C22H24N2O2.2ClH.Sn/c1-17(15-21(25)19-9-5-3-6-10-19)23-13-14-24-18(2)16-22(26)20-11-7-4-8-12-20;;;/h3-12H,13-16H2,1-2H3;2*1H;/q;;;+2/b23-17+,24-18+;;;.
What are the key properties of dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium?
dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium has a molecular weight of 540.08 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium is sourced from PubChem (CID 4569372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).