1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)

C40H41Cl3SiTi — CID 88593029

IUPAC1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)
SMILESCC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C40H41Si.3ClH.Ti/c1-27(2)30-14-11-17-33(24-30)41(34-18-12-15-31(25-34)28(3)4,35-19-13-16-32(26-35)29(5)6)40-38-22-9-7-20-36(38)37-21-8-10-23-39(37)40;;;;/h7-22,24-29,40H,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBDKUHQYBRPIPBE-UHFFFAOYSA-K
MW704.08 g/mol
LogP10.74
Rot. Bonds7

About 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)

1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+) (PubChem CID 88593029) has the molecular formula C40H41Cl3SiTi and a molecular weight of 704.08 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+).

Molecular Properties

Compound Name1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)
PubChem CID88593029
Molecular FormulaC40H41Cl3SiTi
Molecular Weight704.08 g/mol
Exact Mass702.15
IUPAC Name1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)
SMILESCC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C40H41Si.3ClH.Ti/c1-27(2)30-14-11-17-33(24-30)41(34-18-12-15-31(25-34)28(3)4,35-19-13-16-32(26-35)29(5)6)40-38-22-9-7-20-36(38)37-21-8-10-23-39(37)40;;;;/h7-22,24-29,40H,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBDKUHQYBRPIPBE-UHFFFAOYSA-K
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.08
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)?
The IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+) (CID 88593029) is 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+).
What is the SMILES notation for 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)?
The canonical SMILES for 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+) is CC(C)c1cccc([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)C2c3[c-]cccc3-c3ccccc32)c1.Cl[Ti+](Cl)Cl.
What is the InChIKey of 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)?
The InChIKey is BDKUHQYBRPIPBE-UHFFFAOYSA-K. The full InChI is InChI=1S/C40H41Si.3ClH.Ti/c1-27(2)30-14-11-17-33(24-30)41(34-18-12-15-31(25-34)28(3)4,35-19-13-16-32(26-35)29(5)6)40-38-22-9-7-20-36(38)37-21-8-10-23-39(37)40;;;;/h7-22,24-29,40H,1-6H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+)?
1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+) has a molecular weight of 704.08 g/mol, XLogP of 10.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-id-9-yl-tris(3-propan-2-ylphenyl)silane;trichlorotitanium(1+) is sourced from PubChem (CID 88593029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).