bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride

C26H21Cl2NO2Ti-2 — CID 19351794

IUPACbis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti]=Cc1ccccn1
InChIInChI=1S/2C10H8O.C6H5N.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-4-2-3-5-7-6;;;/h2*1-7,11H;1-5H;2*1H;/p-2
InChIKeyAJXNZMQJFLVKRH-UHFFFAOYSA-L
MW498.23 g/mol
LogP-0.12
Rot. Bonds1

About bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride

bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride (PubChem CID 19351794) has the molecular formula C26H21Cl2NO2Ti-2 and a molecular weight of 498.23 g/mol. Its IUPAC name is bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride.

Molecular Properties

Compound Namebis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride
PubChem CID19351794
Molecular FormulaC26H21Cl2NO2Ti-2
Molecular Weight498.23 g/mol
Exact Mass497.04
IUPAC Namebis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti]=Cc1ccccn1
InChIInChI=1S/2C10H8O.C6H5N.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-4-2-3-5-7-6;;;/h2*1-7,11H;1-5H;2*1H;/p-2
InChIKeyAJXNZMQJFLVKRH-UHFFFAOYSA-L
XLogP-0.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-ol;pyridazine
CID 67795055
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
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CID 21243616
naphthalen-1-ol;pyridine
CID 160876082
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
naphthalen-1-ol;zinc;hydrate
CID 175263139
2-[(E)-2-naphthalen-1-ylprop-1-enyl]pyridine
CID 90079269
(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
CID 19351853
(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
CID 19351806
bis(2-tert-butyl-4-methylphenol);pyridin-2-ylmethylidenetitanium;dichloride
CID 19351930

Frequently Asked Questions

What is the IUPAC name of bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride?
The IUPAC name of bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride (CID 19351794) is bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride.
What is the SMILES notation for bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride?
The canonical SMILES for bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride is Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti]=Cc1ccccn1.
What is the InChIKey of bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride?
The InChIKey is AJXNZMQJFLVKRH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O.C6H5N.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-4-2-3-5-7-6;;;/h2*1-7,11H;1-5H;2*1H;/p-2.
What are the key properties of bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride?
bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride has a molecular weight of 498.23 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ol);pyridin-2-ylmethylidenetitanium;dichloride is sourced from PubChem (CID 19351794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).