phenylbenzene;titanium

C12H9Ti- — CID 174362051

IUPACphenylbenzene;titanium
SMILES[Ti].[c-]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-10H;/q-1;
InChIKeyDJEOTFOLOKIADY-UHFFFAOYSA-N
MW201.07 g/mol
LogP3.15
Rot. Bonds1

About phenylbenzene;titanium

phenylbenzene;titanium (PubChem CID 174362051) has the molecular formula C12H9Ti- and a molecular weight of 201.07 g/mol. Its IUPAC name is phenylbenzene;titanium.

Molecular Properties

Compound Namephenylbenzene;titanium
PubChem CID174362051
Molecular FormulaC12H9Ti-
Molecular Weight201.07 g/mol
Exact Mass201.02
IUPAC Namephenylbenzene;titanium
SMILES[Ti].[c-]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-10H;/q-1;
InChIKeyDJEOTFOLOKIADY-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;tris(1,1'-biphenyl)
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carbanide;1-methyl-3-phenylbenzene;osmium(2+);phenylbenzene
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CID 153161895
CID 162140615
CID 162140615
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;indigane
CID 174363765
CID 53446764
CID 53446764
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of phenylbenzene;titanium?
The IUPAC name of phenylbenzene;titanium (CID 174362051) is phenylbenzene;titanium.
What is the SMILES notation for phenylbenzene;titanium?
The canonical SMILES for phenylbenzene;titanium is [Ti].[c-]1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenylbenzene;titanium?
The InChIKey is DJEOTFOLOKIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-10H;/q-1;.
What are the key properties of phenylbenzene;titanium?
phenylbenzene;titanium has a molecular weight of 201.07 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylbenzene;titanium is sourced from PubChem (CID 174362051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).