tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C75H76Si — CID 160723764

IUPACtris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)(c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)C(C)=C1C
InChIInChI=1S/C75H76Si/c1-44-17-45(2)24-60(23-44)66-35-67(61-25-46(3)18-47(4)26-61)39-72(38-66)76(75-58(15)56(13)57(14)59(75)16,73-40-68(62-27-48(5)19-49(6)28-62)36-69(41-73)63-29-50(7)20-51(8)30-63)74-42-70(64-31-52(9)21-53(10)32-64)37-71(43-74)65-33-54(11)22-55(12)34-65/h17-43,75H,1-16H3
InChIKeyBPBIMJATFADNPS-UHFFFAOYSA-N
MW1005.52 g/mol
LogP18.92
Rot. Bonds10

About tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 160723764) has the molecular formula C75H76Si and a molecular weight of 1005.52 g/mol. Its IUPAC name is tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID160723764
Molecular FormulaC75H76Si
Molecular Weight1005.52 g/mol
Exact Mass1004.57
IUPAC Nametris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)(c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)C(C)=C1C
InChIInChI=1S/C75H76Si/c1-44-17-45(2)24-60(23-44)66-35-67(61-25-46(3)18-47(4)26-61)39-72(38-66)76(75-58(15)56(13)57(14)59(75)16,73-40-68(62-27-48(5)19-49(6)28-62)36-69(41-73)63-29-50(7)20-51(8)30-63)74-42-70(64-31-52(9)21-53(10)32-64)37-71(43-74)65-33-54(11)22-55(12)34-65/h17-43,75H,1-16H3
InChIKeyBPBIMJATFADNPS-UHFFFAOYSA-N
XLogP18.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.52
LogP ≤ 518.92
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

bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 141479779
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123824449
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158764980
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473115
[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
CID 135225292
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
CID 126680633

Frequently Asked Questions

What is the IUPAC name of tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 160723764) is tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)(c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)c2cc(-c3cc(C)cc(C)c3)cc(-c3cc(C)cc(C)c3)c2)C(C)=C1C.
What is the InChIKey of tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is BPBIMJATFADNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H76Si/c1-44-17-45(2)24-60(23-44)66-35-67(61-25-46(3)18-47(4)26-61)39-72(38-66)76(75-58(15)56(13)57(14)59(75)16,73-40-68(62-27-48(5)19-49(6)28-62)36-69(41-73)63-29-50(7)20-51(8)30-63)74-42-70(64-31-52(9)21-53(10)32-64)37-71(43-74)65-33-54(11)22-55(12)34-65/h17-43,75H,1-16H3.
What are the key properties of tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 1005.52 g/mol, XLogP of 18.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 160723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).