CID 173474670

C54H74Si4Ti — CID 173474670

IUPAC—
SMILESCC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.CC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C26H34Si2.2CH3.Ti/c2*1-18-10-12-23(13-11-18)27(26(6)17-20(3)21(4)22(26)5)24-14-19(2)15-25(16-24)28(7,8)9;;;/h2*10-16H,1-9H3;2*1H3;/q4*-1;+4
InChIKeyDQUBDNPOYHTWEZ-UHFFFAOYSA-N
MW883.40 g/mol
LogP11.53
Rot. Bonds8

About CID 173474670

CID 173474670 (PubChem CID 173474670) has the molecular formula C54H74Si4Ti and a molecular weight of 883.40 g/mol.

Molecular Properties

Compound NameCID 173474670
PubChem CID173474670
Molecular FormulaC54H74Si4Ti
Molecular Weight883.40 g/mol
Exact Mass882.43
IUPAC Name—
SMILESCC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.CC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C26H34Si2.2CH3.Ti/c2*1-18-10-12-23(13-11-18)27(26(6)17-20(3)21(4)22(26)5)24-14-19(2)15-25(16-24)28(7,8)9;;;/h2*10-16H,1-9H3;2*1H3;/q4*-1;+4
InChIKeyDQUBDNPOYHTWEZ-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.40
LogP ≤ 511.53
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'}

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Related Compounds

titanium(4+);trimethyl-[3-methyl-5-[(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane;trichloride
CID 173474303
carbanide;(2,3-dimethylphenyl)-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
CID 173474335
dibutyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173473584
carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
CID 173473534
CID 140631740
CID 140631740
(3,5-dimethylphenyl)-bis(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium
CID 173474242
carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
CID 173473304
titanium;trimethyl-[3-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(3-trimethylsilylphenyl)silyl]phenyl]silane;trihydrochloride
CID 173475002
carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+)
CID 173473995
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(4+);diiodide
CID 87168260
butan-2-yl-methyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473065

Frequently Asked Questions

What is the IUPAC name of CID 173474670?
The IUPAC name of CID 173474670 (CID 173474670) is not available.
What is the SMILES notation for CID 173474670?
The canonical SMILES for CID 173474670 is CC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.CC1=[C-]C(C)([Si](c2ccc(C)cc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of CID 173474670?
The InChIKey is DQUBDNPOYHTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H34Si2.2CH3.Ti/c2*1-18-10-12-23(13-11-18)27(26(6)17-20(3)21(4)22(26)5)24-14-19(2)15-25(16-24)28(7,8)9;;;/h2*10-16H,1-9H3;2*1H3;/q4*-1;+4.
What are the key properties of CID 173474670?
CID 173474670 has a molecular weight of 883.40 g/mol, XLogP of 11.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474670 is sourced from PubChem (CID 173474670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).