tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium

C78H90O12Ti3 — CID 134903058

IUPACtris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti].[Ti]
InChIInChI=1S/3C20H14O2.6C3H8O.3Ti/c3*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;6*1-3(2)4;;;/h3*1-12,21-22H;6*3-4H,1-2H3;;;
InChIKeyICZPXGYSJSMKLU-UHFFFAOYSA-N
MW1363.17 g/mol
LogP17.53
Rot. Bonds3

About tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium (PubChem CID 134903058) has the molecular formula C78H90O12Ti3 and a molecular weight of 1363.17 g/mol. Its IUPAC name is tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium.

Molecular Properties

Compound Nametris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
PubChem CID134903058
Molecular FormulaC78H90O12Ti3
Molecular Weight1363.17 g/mol
Exact Mass1362.49
IUPAC Nametris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti].[Ti]
InChIInChI=1S/3C20H14O2.6C3H8O.3Ti/c3*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;6*1-3(2)4;;;/h3*1-12,21-22H;6*3-4H,1-2H3;;;
InChIKeyICZPXGYSJSMKLU-UHFFFAOYSA-N
XLogP17.53
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001363.17
LogP ≤ 517.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 102399893
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
CID 58219550
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 tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium?
The IUPAC name of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium (CID 134903058) is tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium.
What is the SMILES notation for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium?
The canonical SMILES for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.[Ti].[Ti].[Ti].
What is the InChIKey of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium?
The InChIKey is ICZPXGYSJSMKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14O2.6C3H8O.3Ti/c3*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;6*1-3(2)4;;;/h3*1-12,21-22H;6*3-4H,1-2H3;;;.
What are the key properties of tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium?
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium has a molecular weight of 1363.17 g/mol, XLogP of 17.53, 3 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium is sourced from PubChem (CID 134903058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).