bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane

C37H40Si — CID 123322742

IUPACbis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=C(c3ccccc3)C=CC2)(c2ccccc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C37H40Si/c1-3-5-14-30-22-26-34(27-23-30)38(33-18-11-8-12-19-33,35-28-24-31(25-29-35)15-6-4-2)37-21-13-20-36(37)32-16-9-7-10-17-32/h7-13,16-20,22-29H,3-6,14-15,21H2,1-2H3
InChIKeyAXTOWPJYNRKHBS-UHFFFAOYSA-N
MW512.81 g/mol
LogP7.79
Rot. Bonds11

About bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane

bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123322742) has the molecular formula C37H40Si and a molecular weight of 512.81 g/mol. Its IUPAC name is bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Namebis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123322742
Molecular FormulaC37H40Si
Molecular Weight512.81 g/mol
Exact Mass512.29
IUPAC Namebis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=C(c3ccccc3)C=CC2)(c2ccccc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C37H40Si/c1-3-5-14-30-22-26-34(27-23-30)38(33-18-11-8-12-19-33,35-28-24-31(25-29-35)15-6-4-2)37-21-13-20-36(37)32-16-9-7-10-17-32/h7-13,16-20,22-29H,3-6,14-15,21H2,1-2H3
InChIKeyAXTOWPJYNRKHBS-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.81
LogP ≤ 57.79
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

(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 123280881
tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 173474766
1-butyl-4-phenylbenzene;ethane
CID 143743409
titanium(4+);tris(4-butylphenyl)-(2-ethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383958
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
CID 140589095
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1-pentadecyl-4-phenylbenzene
CID 57166115
butylbenzene;propylbenzene
CID 142022125
N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
CID 164836340

Frequently Asked Questions

What is the IUPAC name of bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane (CID 123322742) is bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane is CCCCc1ccc([Si](C2=C(c3ccccc3)C=CC2)(c2ccccc2)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is AXTOWPJYNRKHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40Si/c1-3-5-14-30-22-26-34(27-23-30)38(33-18-11-8-12-19-33,35-28-24-31(25-29-35)15-6-4-2)37-21-13-20-36(37)32-16-9-7-10-17-32/h7-13,16-20,22-29H,3-6,14-15,21H2,1-2H3.
What are the key properties of bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane?
bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 512.81 g/mol, XLogP of 7.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123322742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).