bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate

C46H46O7Ti2 — CID 11764266

IUPACbis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
SMILESCC(C)O.CC(C)O.O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti]
InChIInChI=1S/2C20H14O2.2C3H8O.H2O.2Ti/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-3(2)4;;;/h2*1-12,21-22H;2*3-4H,1-2H3;1H2;;
InChIKeySUFOIUNOZWFXDD-UHFFFAOYSA-N
MW806.60 g/mol
LogP10.09
Rot. Bonds2

About bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate

bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate (PubChem CID 11764266) has the molecular formula C46H46O7Ti2 and a molecular weight of 806.60 g/mol. Its IUPAC name is bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate.

Molecular Properties

Compound Namebis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
PubChem CID11764266
Molecular FormulaC46H46O7Ti2
Molecular Weight806.60 g/mol
Exact Mass806.22
IUPAC Namebis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
SMILESCC(C)O.CC(C)O.O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti]
InChIInChI=1S/2C20H14O2.2C3H8O.H2O.2Ti/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-3(2)4;;;/h2*1-12,21-22H;2*3-4H,1-2H3;1H2;;
InChIKeySUFOIUNOZWFXDD-UHFFFAOYSA-N
XLogP10.09
TPSA152.88 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.60
LogP ≤ 510.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
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CID 102399893
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CID 95420538
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
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1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
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1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 56925391
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate?
The IUPAC name of bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate (CID 11764266) is bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate.
What is the SMILES notation for bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate?
The canonical SMILES for bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate is CC(C)O.CC(C)O.O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti].
What is the InChIKey of bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate?
The InChIKey is SUFOIUNOZWFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14O2.2C3H8O.H2O.2Ti/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-3(2)4;;;/h2*1-12,21-22H;2*3-4H,1-2H3;1H2;;.
What are the key properties of bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate?
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate has a molecular weight of 806.60 g/mol, XLogP of 10.09, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate is sourced from PubChem (CID 11764266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).