tetrakis(naphthalen-1-ol);titanium

C40H32O4Ti — CID 18400436

IUPACtetrakis(naphthalen-1-ol);titanium
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Ti]
InChIInChI=1S/4C10H8O.Ti/c4*11-10-7-3-5-8-4-1-2-6-9(8)10;/h4*1-7,11H;
InChIKeyXAAUEHAUDICGFE-UHFFFAOYSA-N
MW624.56 g/mol
LogP10.18
Rot. Bonds

About tetrakis(naphthalen-1-ol);titanium

tetrakis(naphthalen-1-ol);titanium (PubChem CID 18400436) has the molecular formula C40H32O4Ti and a molecular weight of 624.56 g/mol. Its IUPAC name is tetrakis(naphthalen-1-ol);titanium.

Molecular Properties

Compound Nametetrakis(naphthalen-1-ol);titanium
PubChem CID18400436
Molecular FormulaC40H32O4Ti
Molecular Weight624.56 g/mol
Exact Mass624.18
IUPAC Nametetrakis(naphthalen-1-ol);titanium
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Ti]
InChIInChI=1S/4C10H8O.Ti/c4*11-10-7-3-5-8-4-1-2-6-9(8)10;/h4*1-7,11H;
InChIKeyXAAUEHAUDICGFE-UHFFFAOYSA-N
XLogP10.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.56
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(naphthalen-1-ol);titanium?
The IUPAC name of tetrakis(naphthalen-1-ol);titanium (CID 18400436) is tetrakis(naphthalen-1-ol);titanium.
What is the SMILES notation for tetrakis(naphthalen-1-ol);titanium?
The canonical SMILES for tetrakis(naphthalen-1-ol);titanium is Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Ti].
What is the InChIKey of tetrakis(naphthalen-1-ol);titanium?
The InChIKey is XAAUEHAUDICGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8O.Ti/c4*11-10-7-3-5-8-4-1-2-6-9(8)10;/h4*1-7,11H;.
What are the key properties of tetrakis(naphthalen-1-ol);titanium?
tetrakis(naphthalen-1-ol);titanium has a molecular weight of 624.56 g/mol, XLogP of 10.18, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(naphthalen-1-ol);titanium is sourced from PubChem (CID 18400436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).