(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride

C28H23Cl3SiTi — CID 158047641

IUPAC(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride
SMILESCC1=[C-]c2ccccc2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C28H23Si.3ClH.Ti/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;;;;/h2-20,28H,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyPMQFLGMKTFSPBR-UHFFFAOYSA-K
MW541.80 g/mol
LogP-4.40
Rot. Bonds4

About (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride

(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride (PubChem CID 158047641) has the molecular formula C28H23Cl3SiTi and a molecular weight of 541.80 g/mol. Its IUPAC name is (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride
PubChem CID158047641
Molecular FormulaC28H23Cl3SiTi
Molecular Weight541.80 g/mol
Exact Mass540.01
IUPAC Name(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride
SMILESCC1=[C-]c2ccccc2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C28H23Si.3ClH.Ti/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;;;;/h2-20,28H,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyPMQFLGMKTFSPBR-UHFFFAOYSA-K
XLogP-4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.80
LogP ≤ 5-4.40
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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Related Compounds

(2-methyl-1,3-dihydroinden-3-id-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159911198
triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 140852226
1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
CID 173384978
bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
[bis(4-methylphenyl)-phenylsilyl]-bis(4-methylphenyl)-phenylsilane
CID 5077893
chloro-bis(9H-fluoren-9-yl)-phenylsilane;vanadium(2+);dichloride
CID 22073654
chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
CID 54510679
[dimethyl(triphenylsilyl)silyl]-dimethyl-triphenylsilylsilane
CID 86205991
CID 10916886
CID 10916886
methyl-diphenyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane;titanium(4+);trichloride
CID 173383553

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride?
The IUPAC name of (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride (CID 158047641) is (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride.
What is the SMILES notation for (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride?
The canonical SMILES for (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride is CC1=[C-]c2ccccc2C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride?
The InChIKey is PMQFLGMKTFSPBR-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H23Si.3ClH.Ti/c1-22-21-23-13-11-12-20-27(23)28(22)29(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;;;;/h2-20,28H,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride?
(2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride has a molecular weight of 541.80 g/mol, XLogP of -4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dihydroinden-3-id-1-yl)-triphenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 158047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).