dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol

C26H27Cl2OTi- — CID 131729290

IUPACdichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl.Oc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12O.C10H15.2ClH.Ti/c17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13;1-6-7(2)9(4)10(5)8(6)3;;;/h1-11,17H;1-5H3;2*1H;/q;-1;;;+2/p-2
InChIKeyFLOJPRPNUHTUGI-UHFFFAOYSA-L
MW474.27 g/mol
LogP8.54
Rot. Bonds1

About dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol

dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol (PubChem CID 131729290) has the molecular formula C26H27Cl2OTi- and a molecular weight of 474.27 g/mol. Its IUPAC name is dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol.

Molecular Properties

Compound Namedichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol
PubChem CID131729290
Molecular FormulaC26H27Cl2OTi-
Molecular Weight474.27 g/mol
Exact Mass473.09
IUPAC Namedichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl.Oc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12O.C10H15.2ClH.Ti/c17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13;1-6-7(2)9(4)10(5)8(6)3;;;/h1-11,17H;1-5H3;2*1H;/q;-1;;;+2/p-2
InChIKeyFLOJPRPNUHTUGI-UHFFFAOYSA-L
XLogP8.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.27
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)naphthalen-2-ol
CID 71327010
1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 11986587
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-phenylnaphthalene-2,7-diol
CID 118054370
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
1-(2-hydroxynaphthalen-1-yl)-3-methyl-6-phenylnaphthalen-2-ol
CID 58219531
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol?
The IUPAC name of dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol (CID 131729290) is dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol.
What is the SMILES notation for dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol?
The canonical SMILES for dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol is Cc1c(C)c(C)[c-](C)c1C.Cl[Ti]Cl.Oc1ccc2ccccc2c1-c1ccccc1.
What is the InChIKey of dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol?
The InChIKey is FLOJPRPNUHTUGI-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H12O.C10H15.2ClH.Ti/c17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13;1-6-7(2)9(4)10(5)8(6)3;;;/h1-11,17H;1-5H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol?
dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol has a molecular weight of 474.27 g/mol, XLogP of 8.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol is sourced from PubChem (CID 131729290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).