1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)

C38H53Cl3SiTi — CID 88593065

IUPAC1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.Cl[Ti+](Cl)Cl
InChIInChI=1S/C38H53Si.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-39(2,33-26-19-18-20-27-33)38-36-30-23-21-28-34(36)35-29-22-24-31-37(35)38;;;;/h18-24,26-30,38H,3-17,25,32H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyABFCGBGQHBGCJC-UHFFFAOYSA-K
MW692.15 g/mol
LogP13.45
Rot. Bonds19

About 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)

1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+) (PubChem CID 88593065) has the molecular formula C38H53Cl3SiTi and a molecular weight of 692.15 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+).

Molecular Properties

Compound Name1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)
PubChem CID88593065
Molecular FormulaC38H53Cl3SiTi
Molecular Weight692.15 g/mol
Exact Mass690.25
IUPAC Name1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.Cl[Ti+](Cl)Cl
InChIInChI=1S/C38H53Si.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-39(2,33-26-19-18-20-27-33)38-36-30-23-21-28-34(36)35-29-22-24-31-37(35)38;;;;/h18-24,26-30,38H,3-17,25,32H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyABFCGBGQHBGCJC-UHFFFAOYSA-K
XLogP13.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.15
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)?
The IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+) (CID 88593065) is 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+).
What is the SMILES notation for 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)?
The canonical SMILES for 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+) is CCCCCCCCCCCCCCCCCC[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.Cl[Ti+](Cl)Cl.
What is the InChIKey of 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)?
The InChIKey is ABFCGBGQHBGCJC-UHFFFAOYSA-K. The full InChI is InChI=1S/C38H53Si.3ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-39(2,33-26-19-18-20-27-33)38-36-30-23-21-28-34(36)35-29-22-24-31-37(35)38;;;;/h18-24,26-30,38H,3-17,25,32H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)?
1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+) has a molecular weight of 692.15 g/mol, XLogP of 13.45, 19 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-methyl-octadecyl-phenylsilane;trichlorotitanium(1+) is sourced from PubChem (CID 88593065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).