4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole

C148H204Si6 — CID 139188820

IUPAC4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole
SMILESCC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1
InChIInChI=1S/2C74H102Si3/c2*1-43(2)57-35-61(47(9)10)70(62(36-57)48(11)12)75-69(55-31-27-25-28-32-55)72(56-33-29-26-30-34-56)77(73-65(51(17)18)39-59(45(5)6)40-66(73)52(19)20,74-67(53(21)22)41-60(46(7)8)42-68(74)54(23)24)76(75)71-63(49(13)14)37-58(44(3)4)38-64(71)50(15)16/h2*25-54H,1-24H3
InChIKeyBHZZEHUCVOWZKN-UHFFFAOYSA-N
MW2151.78 g/mol
LogP38.79
Rot. Bonds36

About 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole

4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole (PubChem CID 139188820) has the molecular formula C148H204Si6 and a molecular weight of 2151.78 g/mol. Its IUPAC name is 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole.

Molecular Properties

Compound Name4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole
PubChem CID139188820
Molecular FormulaC148H204Si6
Molecular Weight2151.78 g/mol
Exact Mass2149.46
IUPAC Name4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole
SMILESCC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1
InChIInChI=1S/2C74H102Si3/c2*1-43(2)57-35-61(47(9)10)70(62(36-57)48(11)12)75-69(55-31-27-25-28-32-55)72(56-33-29-26-30-34-56)77(73-65(51(17)18)39-59(45(5)6)40-66(73)52(19)20,74-67(53(21)22)41-60(46(7)8)42-68(74)54(23)24)76(75)71-63(49(13)14)37-58(44(3)4)38-64(71)50(15)16/h2*25-54H,1-24H3
InChIKeyBHZZEHUCVOWZKN-UHFFFAOYSA-N
XLogP38.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002151.78
LogP ≤ 538.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole?
The IUPAC name of 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole (CID 139188820) is 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole.
What is the SMILES notation for 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole?
The canonical SMILES for 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole is CC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)(c3c(C(C)C)cc(C(C)C)cc3C(C)C)C(c3ccccc3)=C2c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole?
The InChIKey is BHZZEHUCVOWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H102Si3/c2*1-43(2)57-35-61(47(9)10)70(62(36-57)48(11)12)75-69(55-31-27-25-28-32-55)72(56-33-29-26-30-34-56)77(73-65(51(17)18)39-59(45(5)6)40-66(73)52(19)20,74-67(53(21)22)41-60(46(7)8)42-68(74)54(23)24)76(75)71-63(49(13)14)37-58(44(3)4)38-64(71)50(15)16/h2*25-54H,1-24H3.
What are the key properties of 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole?
4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole has a molecular weight of 2151.78 g/mol, XLogP of 38.79, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilole is sourced from PubChem (CID 139188820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).