dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol

C32H22Cl2O2Ti — CID 58639284

IUPACdichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
SMILESCl[Ti]Cl.Oc1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2.2ClH.Ti/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;;;/h1-20,33-34H;2*1H;/q;;;+2/p-2
InChIKeyNXQKFDGTHYSCFH-UHFFFAOYSA-L
MW557.30 g/mol
LogP9.78
Rot. Bonds3

About dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol

dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol (PubChem CID 58639284) has the molecular formula C32H22Cl2O2Ti and a molecular weight of 557.30 g/mol. Its IUPAC name is dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol.

Molecular Properties

Compound Namedichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
PubChem CID58639284
Molecular FormulaC32H22Cl2O2Ti
Molecular Weight557.30 g/mol
Exact Mass556.05
IUPAC Namedichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
SMILESCl[Ti]Cl.Oc1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C32H22O2.2ClH.Ti/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;;;/h1-20,33-34H;2*1H;/q;;;+2/p-2
InChIKeyNXQKFDGTHYSCFH-UHFFFAOYSA-L
XLogP9.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.30
LogP ≤ 59.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol 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

1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
2-chloro-1,3-diphenylnaphthalene
CID 12697982
1,3-diphenylnaphthalen-2-ol;1-methyl-2-naphthalen-1-ylnaphthalene;2-phenylnaphthalen-1-ol
CID 160917683
1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
2-phenylanthracen-1-ol
CID 54315343
12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
CID 139037456
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
3-anthracen-9-ylphenol
CID 91210590
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol?
The IUPAC name of dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol (CID 58639284) is dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol.
What is the SMILES notation for dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol?
The canonical SMILES for dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol is Cl[Ti]Cl.Oc1c(-c2ccccc2)cc2ccccc2c1-c1c(O)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol?
The InChIKey is NXQKFDGTHYSCFH-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H22O2.2ClH.Ti/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22;;;/h1-20,33-34H;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol?
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol has a molecular weight of 557.30 g/mol, XLogP of 9.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol is sourced from PubChem (CID 58639284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).