bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)

C50H42O2Ti — CID 134902847

IUPACbis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C18H14O.2C7H7.Ti/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-7-5-3-2-4-6-7;/h2*1-13,19H;2*2-6H,1H2;/q;;2*-1;+2
InChIKeyGEEBUCUWWLQAQE-UHFFFAOYSA-N
MW722.75 g/mol
LogP13.19
Rot. Bonds4

About bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)

bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+) (PubChem CID 134902847) has the molecular formula C50H42O2Ti and a molecular weight of 722.75 g/mol. Its IUPAC name is bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+).

Molecular Properties

Compound Namebis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
PubChem CID134902847
Molecular FormulaC50H42O2Ti
Molecular Weight722.75 g/mol
Exact Mass722.27
IUPAC Namebis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
SMILESOc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C18H14O.2C7H7.Ti/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-7-5-3-2-4-6-7;/h2*1-13,19H;2*2-6H,1H2;/q;;2*-1;+2
InChIKeyGEEBUCUWWLQAQE-UHFFFAOYSA-N
XLogP13.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.75
LogP ≤ 513.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2-methyl-6-phenylphenol
CID 12592481
lithium;1,1'-biphenyl;methanidylbenzene
CID 159489560
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
potassium 1-methanidyl-4-phenylbenzene
CID 177482189
2-[2-[2-(3-bromo-2-hydroxyphenyl)ethyl-methylamino]ethyl]-6-phenylphenol;methanidylbenzene;zirconium(3+)
CID 153312049
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
CID 154622833
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
(2-hydroxy-3-phenylphenyl) thiohypochlorite
CID 22013533

Frequently Asked Questions

What is the IUPAC name of bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)?
The IUPAC name of bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+) (CID 134902847) is bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+).
What is the SMILES notation for bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)?
The canonical SMILES for bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+) is Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+2].
What is the InChIKey of bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)?
The InChIKey is GEEBUCUWWLQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14O.2C7H7.Ti/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-7-5-3-2-4-6-7;/h2*1-13,19H;2*2-6H,1H2;/q;;2*-1;+2.
What are the key properties of bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)?
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+) has a molecular weight of 722.75 g/mol, XLogP of 13.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+) is sourced from PubChem (CID 134902847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).