tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C45H37F3Si — CID 88962483

IUPACtris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(F)cc(-c3ccccc3)c2)(c2cc(F)cc(-c3ccccc3)c2)c2cc(F)cc(-c3ccccc3)c2)=C1C
InChIInChI=1S/C45H37F3Si/c1-29-30(2)32(4)45(31(29)3)49(42-23-36(20-39(46)26-42)33-14-8-5-9-15-33,43-24-37(21-40(47)27-43)34-16-10-6-11-17-34)44-25-38(22-41(48)28-44)35-18-12-7-13-19-35/h5-28,31H,1-4H3
InChIKeyDSZZWYBDAJBCSW-UHFFFAOYSA-N
MW662.87 g/mol
LogP10.42
Rot. Bonds7

About tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 88962483) has the molecular formula C45H37F3Si and a molecular weight of 662.87 g/mol. Its IUPAC name is tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID88962483
Molecular FormulaC45H37F3Si
Molecular Weight662.87 g/mol
Exact Mass662.26
IUPAC Nametris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(F)cc(-c3ccccc3)c2)(c2cc(F)cc(-c3ccccc3)c2)c2cc(F)cc(-c3ccccc3)c2)=C1C
InChIInChI=1S/C45H37F3Si/c1-29-30(2)32(4)45(31(29)3)49(42-23-36(20-39(46)26-42)33-14-8-5-9-15-33,43-24-37(21-40(47)27-43)34-16-10-6-11-17-34)44-25-38(22-41(48)28-44)35-18-12-7-13-19-35/h5-28,31H,1-4H3
InChIKeyDSZZWYBDAJBCSW-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.87
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl
CID 3093741
4-[4-(4-Butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene
CID 57832111
Triphenylmethylium tetrakis(pentafluorophenyl)borate
CID 9832824
Iodonium, (4-(1-methylethyl)phenyl)(4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1)
CID 21967041
4''-Ethyl-2'-fluoro-4-(4-pentylcyclohexyl)-1,1':4',1''-terphenyl
CID 117713229
Rel-4'-((1r,1'r,4R,4'R)-4'-ethyl-[1,1'-bi(cyclohexan)]-4-yl)-3,4-difluoro-1,1'-biphenyl
CID 122367001
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
3,4-Difluoro-4'-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-1,1'-biphenyl
CID 11683281
5cHF3cHB
CID 13955133
1,2-Difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 14473877

Frequently Asked Questions

What is the IUPAC name of tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 88962483) is tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cc(F)cc(-c3ccccc3)c2)(c2cc(F)cc(-c3ccccc3)c2)c2cc(F)cc(-c3ccccc3)c2)=C1C.
What is the InChIKey of tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is DSZZWYBDAJBCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37F3Si/c1-29-30(2)32(4)45(31(29)3)49(42-23-36(20-39(46)26-42)33-14-8-5-9-15-33,43-24-37(21-40(47)27-43)34-16-10-6-11-17-34)44-25-38(22-41(48)28-44)35-18-12-7-13-19-35/h5-28,31H,1-4H3.
What are the key properties of tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 662.87 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 88962483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).