tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane

C44H54Si2 — CID 11657473

IUPACtri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C44H54Si2/c1-33(2)45(34(3)4,35(5)6)31-29-43-25-21-41(22-26-43)19-17-39-13-15-40(16-14-39)18-20-42-23-27-44(28-24-42)30-32-46(36(7)8,37(9)10)38(11)12/h13-16,21-28,33-38H,1-12H3
InChIKeyXZUQYRBMTFDINC-UHFFFAOYSA-N
MW639.09 g/mol
LogP11.63
Rot. Bonds6

About tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane

tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane (PubChem CID 11657473) has the molecular formula C44H54Si2 and a molecular weight of 639.09 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
PubChem CID11657473
Molecular FormulaC44H54Si2
Molecular Weight639.09 g/mol
Exact Mass638.38
IUPAC Nametri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C44H54Si2/c1-33(2)45(34(3)4,35(5)6)31-29-43-25-21-41(22-26-43)19-17-39-13-15-40(16-14-39)18-20-42-23-27-44(28-24-42)30-32-46(36(7)8,37(9)10)38(11)12/h13-16,21-28,33-38H,1-12H3
InChIKeyXZUQYRBMTFDINC-UHFFFAOYSA-N
XLogP11.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.09
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
tri(propan-2-yl)-[2-[4-[2-[4-[2-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 102510770
N,N-dimethyl-4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]aniline
CID 102353310
4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde
CID 10827100
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736
4-[2-tri(propan-2-yl)silylethynyl]benzoic acid
CID 10851921
tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
CID 58362242
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]ethynyl]silane
CID 58410794
methyl 4-[2-tri(propan-2-yl)silylethynyl]benzoate
CID 162416896
2-methyl-1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]propane-1,2-diol
CID 90436166
2,5-bis(4-bromophenyl)-3,4-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopenta-2,4-dien-1-one
CID 134977261
2-(3-methylsulfanylphenyl)ethynyl-tri(propan-2-yl)silane
CID 10494755

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane (CID 11657473) is tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane is CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The InChIKey is XZUQYRBMTFDINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54Si2/c1-33(2)45(34(3)4,35(5)6)31-29-43-25-21-41(22-26-43)19-17-39-13-15-40(16-14-39)18-20-42-23-27-44(28-24-42)30-32-46(36(7)8,37(9)10)38(11)12/h13-16,21-28,33-38H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane has a molecular weight of 639.09 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane is sourced from PubChem (CID 11657473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).