tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C87H100Si — CID 173473425

IUPACtris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)(c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)C(C)=C1C
InChIInChI=1S/C87H100Si/c1-51-23-57(7)81(58(8)24-51)44-72-35-73(45-82-59(9)25-52(2)26-60(82)10)39-78(38-72)88(87(22)50-69(19)70(20)71(87)21,79-40-74(46-83-61(11)27-53(3)28-62(83)12)36-75(41-79)47-84-63(13)29-54(4)30-64(84)14)80-42-76(48-85-65(15)31-55(5)32-66(85)16)37-77(43-80)49-86-67(17)33-56(6)34-68(86)18/h23-43,50H,44-49H2,1-22H3
InChIKeyIZIARKVKVBGHSO-UHFFFAOYSA-N
MW1173.84 g/mol
LogP20.31
Rot. Bonds16

About tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473425) has the molecular formula C87H100Si and a molecular weight of 1173.84 g/mol. Its IUPAC name is tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473425
Molecular FormulaC87H100Si
Molecular Weight1173.84 g/mol
Exact Mass1172.76
IUPAC Nametris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)(c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)C(C)=C1C
InChIInChI=1S/C87H100Si/c1-51-23-57(7)81(58(8)24-51)44-72-35-73(45-82-59(9)25-52(2)26-60(82)10)39-78(38-72)88(87(22)50-69(19)70(20)71(87)21,79-40-74(46-83-61(11)27-53(3)28-62(83)12)36-75(41-79)47-84-63(13)29-54(4)30-64(84)14)80-42-76(48-85-65(15)31-55(5)32-66(85)16)37-77(43-80)49-86-67(17)33-56(6)34-68(86)18/h23-43,50H,44-49H2,1-22H3
InChIKeyIZIARKVKVBGHSO-UHFFFAOYSA-N
XLogP20.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.84
LogP ≤ 520.31
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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Frequently Asked Questions

What is the IUPAC name of tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473425) is tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)(c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)c2cc(Cc3c(C)cc(C)cc3C)cc(Cc3c(C)cc(C)cc3C)c2)C(C)=C1C.
What is the InChIKey of tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is IZIARKVKVBGHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H100Si/c1-51-23-57(7)81(58(8)24-51)44-72-35-73(45-82-59(9)25-52(2)26-60(82)10)39-78(38-72)88(87(22)50-69(19)70(20)71(87)21,79-40-74(46-83-61(11)27-53(3)28-62(83)12)36-75(41-79)47-84-63(13)29-54(4)30-64(84)14)80-42-76(48-85-65(15)31-55(5)32-66(85)16)37-77(43-80)49-86-67(17)33-56(6)34-68(86)18/h23-43,50H,44-49H2,1-22H3.
What are the key properties of tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 1173.84 g/mol, XLogP of 20.31, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).