bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride

C44H36Cl2O2Ti2-2 — CID 23015547

IUPACbis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
SMILESOCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.OCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti].[Ti]
InChIInChI=1S/2C22H18O.2ClH.2Ti/c2*23-15-18-11-5-7-13-20(18)22-19-12-6-4-10-17(19)14-21(22)16-8-2-1-3-9-16;;;;/h2*1-14,22-23H,15H2;2*1H;;/p-2
InChIKeyTXIIWKXIJNDICE-UHFFFAOYSA-L
MW763.41 g/mol
LogP3.73
Rot. Bonds6

About bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride

bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride (PubChem CID 23015547) has the molecular formula C44H36Cl2O2Ti2-2 and a molecular weight of 763.41 g/mol. Its IUPAC name is bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride.

Molecular Properties

Compound Namebis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
PubChem CID23015547
Molecular FormulaC44H36Cl2O2Ti2-2
Molecular Weight763.41 g/mol
Exact Mass762.11
IUPAC Namebis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
SMILESOCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.OCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti].[Ti]
InChIInChI=1S/2C22H18O.2ClH.2Ti/c2*23-15-18-11-5-7-13-20(18)22-19-12-6-4-10-17(19)14-21(22)16-8-2-1-3-9-16;;;;/h2*1-14,22-23H,15H2;2*1H;;/p-2
InChIKeyTXIIWKXIJNDICE-UHFFFAOYSA-L
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500763.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methyl]azanide;titanium(3+);dichloride
CID 87500897
[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]methanol
CID 23016258
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
bis(1-cyclopenta-1,3-dien-1-yl-2-phenyl-1H-indene);zirconium(2+)
CID 172693912
diphenyl-[1-(2-phenyl-1H-inden-1-yl)naphthalen-2-yl]phosphane
CID 139996216
2-methyl-N-[2-[2-(2-phenyl-1H-inden-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 23014756
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
CID 141067004
3-methyl-2-phenyl-4-(2-phenyl-1H-inden-1-yl)-1H-inden-1-ide;zirconium
CID 173299838
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
CID 144815588
(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683

Frequently Asked Questions

What is the IUPAC name of bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride?
The IUPAC name of bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride (CID 23015547) is bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride.
What is the SMILES notation for bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride?
The canonical SMILES for bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride is OCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.OCc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti].[Ti].
What is the InChIKey of bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride?
The InChIKey is TXIIWKXIJNDICE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H18O.2ClH.2Ti/c2*23-15-18-11-5-7-13-20(18)22-19-12-6-4-10-17(19)14-21(22)16-8-2-1-3-9-16;;;;/h2*1-14,22-23H,15H2;2*1H;;/p-2.
What are the key properties of bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride?
bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride has a molecular weight of 763.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride is sourced from PubChem (CID 23015547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).