[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium

C31H24Cl4NOPTi+ — CID 140560517

IUPAC[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium
SMILESCl[Ti](Cl)Cl.Oc1c(/C=N/c2ccc(Cl)cc2[PH+](c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C31H23ClNOP.3ClH.Ti/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;;;/h1-22,34H;3*1H;/q;;;;+3/p-2/b33-22+;;;;
InChIKeyKIGMYQVQTNMPLU-SUNHTEQPSA-L
MW647.19 g/mol
LogP9.02
Rot. Bonds6

About [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium

[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium (PubChem CID 140560517) has the molecular formula C31H24Cl4NOPTi+ and a molecular weight of 647.19 g/mol. Its IUPAC name is [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium.

Molecular Properties

Compound Name[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium
PubChem CID140560517
Molecular FormulaC31H24Cl4NOPTi+
Molecular Weight647.19 g/mol
Exact Mass644.98
IUPAC Name[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium
SMILESCl[Ti](Cl)Cl.Oc1c(/C=N/c2ccc(Cl)cc2[PH+](c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C31H23ClNOP.3ClH.Ti/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;;;/h1-22,34H;3*1H;/q;;;;+3/p-2/b33-22+;;;;
InChIKeyKIGMYQVQTNMPLU-SUNHTEQPSA-L
XLogP9.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.19
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
CID 140560518
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
CID 136968910
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722
2-[(2,4-dichlorophenyl)methylideneamino]-4-phenylphenol
CID 4059115
2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol
CID 137098432
5-chloro-2-hydroxy-3-phenylbenzaldehyde
CID 10955442
2-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]iminomethyl]-6-phenylphenol
CID 3095792
2-cyclohexyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclohexyl-6-[(2-methylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(2-methylphenyl)iminomethyl]phenol;octakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-methylphenol;2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol;2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
CID 160989421
4-chloro-2,6-bis[(2-sulfanylphenyl)iminomethyl]phenol
CID 135603470

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium?
The IUPAC name of [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium (CID 140560517) is [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium.
What is the SMILES notation for [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium?
The canonical SMILES for [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium is Cl[Ti](Cl)Cl.Oc1c(/C=N/c2ccc(Cl)cc2[PH+](c2ccccc2)c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium?
The InChIKey is KIGMYQVQTNMPLU-SUNHTEQPSA-L. The full InChI is InChI=1S/C31H23ClNOP.3ClH.Ti/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;;;/h1-22,34H;3*1H;/q;;;;+3/p-2/b33-22+;;;;.
What are the key properties of [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium?
[5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium has a molecular weight of 647.19 g/mol, XLogP of 9.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]phenyl]-diphenylphosphanium;trichlorotitanium is sourced from PubChem (CID 140560517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).