dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium

C31H32Cl2N2O3SnV — CID 5232081

IUPACdichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium
SMILESC/C(=N\CC(C)/N=C(\C)c1ccccc1O)c1ccccc1O.Cl[Sn](Cl)(c1ccccc1)c1ccccc1.O=[V]
InChIInChI=1S/C19H22N2O2.2C6H5.2ClH.O.Sn.V/c1-13(21-15(3)17-9-5-7-11-19(17)23)12-20-14(2)16-8-4-6-10-18(16)22;2*1-2-4-6-5-3-1;;;;;/h4-11,13,22-23H,12H2,1-3H3;2*1-5H;2*1H;;;/q;;;;;;+2;/p-2/b20-14+,21-15+;;;;;;;
InChIKeyYCEIHPGLIGPQDQ-ZEKKBAPQSA-L
MW721.17 g/mol
LogP6.40
Rot. Bonds7

About dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium

dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium (PubChem CID 5232081) has the molecular formula C31H32Cl2N2O3SnV and a molecular weight of 721.17 g/mol. Its IUPAC name is dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium.

Molecular Properties

Compound Namedichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium
PubChem CID5232081
Molecular FormulaC31H32Cl2N2O3SnV
Molecular Weight721.17 g/mol
Exact Mass721.03
IUPAC Namedichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium
SMILESC/C(=N\CC(C)/N=C(\C)c1ccccc1O)c1ccccc1O.Cl[Sn](Cl)(c1ccccc1)c1ccccc1.O=[V]
InChIInChI=1S/C19H22N2O2.2C6H5.2ClH.O.Sn.V/c1-13(21-15(3)17-9-5-7-11-19(17)23)12-20-14(2)16-8-4-6-10-18(16)22;2*1-2-4-6-5-3-1;;;;;/h4-11,13,22-23H,12H2,1-3H3;2*1-5H;2*1H;;;/q;;;;;;+2;/p-2/b20-14+,21-15+;;;;;;;
InChIKeyYCEIHPGLIGPQDQ-ZEKKBAPQSA-L
XLogP6.40
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.17
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol
CID 136753121
2-[1-[1-(2-hydroxyphenyl)ethylideneamino]propan-2-yliminomethyl]phenol
CID 136707520
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
CID 174947834
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
CID 135844947
2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
CID 2731245
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-(C-methyl-N-propan-2-ylcarbonimidoyl)benzoic acid
CID 118860081
2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
CID 136688295
2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid
CID 137035148

Frequently Asked Questions

What is the IUPAC name of dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium?
The IUPAC name of dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium (CID 5232081) is dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium.
What is the SMILES notation for dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium?
The canonical SMILES for dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium is C/C(=N\CC(C)/N=C(\C)c1ccccc1O)c1ccccc1O.Cl[Sn](Cl)(c1ccccc1)c1ccccc1.O=[V].
What is the InChIKey of dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium?
The InChIKey is YCEIHPGLIGPQDQ-ZEKKBAPQSA-L. The full InChI is InChI=1S/C19H22N2O2.2C6H5.2ClH.O.Sn.V/c1-13(21-15(3)17-9-5-7-11-19(17)23)12-20-14(2)16-8-4-6-10-18(16)22;2*1-2-4-6-5-3-1;;;;;/h4-11,13,22-23H,12H2,1-3H3;2*1-5H;2*1H;;;/q;;;;;;+2;/p-2/b20-14+,21-15+;;;;;;;.
What are the key properties of dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium?
dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium has a molecular weight of 721.17 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(diphenyl)stannane;2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]phenol;oxovanadium is sourced from PubChem (CID 5232081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).