(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C53H48Si — CID 123824449

IUPAC(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)cc(C)c2)(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1C
InChIInChI=1S/C53H48Si/c1-36-27-37(2)29-50(28-36)54(53-40(5)38(3)39(4)41(53)6,51-32-46(42-19-11-7-12-20-42)30-47(33-51)43-21-13-8-14-22-43)52-34-48(44-23-15-9-16-24-44)31-49(35-52)45-25-17-10-18-26-45/h7-35,40H,1-6H3
InChIKeyPNRANYUCKFEVLZ-UHFFFAOYSA-N
MW713.05 g/mol
LogP12.28
Rot. Bonds8

About (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123824449) has the molecular formula C53H48Si and a molecular weight of 713.05 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123824449
Molecular FormulaC53H48Si
Molecular Weight713.05 g/mol
Exact Mass712.35
IUPAC Name(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2cc(C)cc(C)c2)(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1C
InChIInChI=1S/C53H48Si/c1-36-27-37(2)29-50(28-36)54(53-40(5)38(3)39(4)41(53)6,51-32-46(42-19-11-7-12-20-42)30-47(33-51)43-21-13-8-14-22-43)52-34-48(44-23-15-9-16-24-44)31-49(35-52)45-25-17-10-18-26-45/h7-35,40H,1-6H3
InChIKeyPNRANYUCKFEVLZ-UHFFFAOYSA-N
XLogP12.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.05
LogP ≤ 512.28
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

tris(3-fluoro-5-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 88962483
(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123456533
tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123565851
trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]phenyl]silane
CID 123948663
bis(2,6-dimethylphenyl)-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123649391
tris(2,6-dimethyl-3,4-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123908492
tris(3-methyl-2,4,5,6-tetraphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123940092
tris(2,4-dimethyl-3-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123447228
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
[3-[diphenyl-(3-phenylphenyl)silyl]-5-methylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 170660172
(2,6-dimethylphenyl)-(2,5-dimethyl-3-trimethylsilylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123169075
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123824449) is (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2cc(C)cc(C)c2)(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1C.
What is the InChIKey of (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is PNRANYUCKFEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48Si/c1-36-27-37(2)29-50(28-36)54(53-40(5)38(3)39(4)41(53)6,51-32-46(42-19-11-7-12-20-42)30-47(33-51)43-21-13-8-14-22-43)52-34-48(44-23-15-9-16-24-44)31-49(35-52)45-25-17-10-18-26-45/h7-35,40H,1-6H3.
What are the key properties of (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 713.05 g/mol, XLogP of 12.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123824449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).