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

C60H62Si2 — CID 102510770

IUPACtri(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
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cccc(C#Cc4ccc(C#Cc5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)c3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C60H62Si2/c1-45(2)61(46(3)4,47(5)6)42-40-57-32-28-53(29-33-57)18-16-51-20-24-55(25-21-51)36-38-59-14-13-15-60(44-59)39-37-56-26-22-52(23-27-56)17-19-54-30-34-58(35-31-54)41-43-62(48(7)8,49(9)10)50(11)12/h13-15,20-35,44-50H,1-12H3
InChIKeyKUTGCPRMOKBUPA-UHFFFAOYSA-N
MW839.33 g/mol
LogP14.42
Rot. Bonds6

About 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

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 (PubChem CID 102510770) has the molecular formula C60H62Si2 and a molecular weight of 839.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametri(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
PubChem CID102510770
Molecular FormulaC60H62Si2
Molecular Weight839.33 g/mol
Exact Mass838.44
IUPAC Nametri(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
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cccc(C#Cc4ccc(C#Cc5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)c3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C60H62Si2/c1-45(2)61(46(3)4,47(5)6)42-40-57-32-28-53(29-33-57)18-16-51-20-24-55(25-21-51)36-38-59-14-13-15-60(44-59)39-37-56-26-22-52(23-27-56)17-19-54-30-34-58(35-31-54)41-43-62(48(7)8,49(9)10)50(11)12/h13-15,20-35,44-50H,1-12H3
InChIKeyKUTGCPRMOKBUPA-UHFFFAOYSA-N
XLogP14.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.33
LogP ≤ 514.42
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

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
2-(3-methylsulfanylphenyl)ethynyl-tri(propan-2-yl)silane
CID 10494755
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-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
CID 56958857
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
N,N-dimethyl-4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]aniline
CID 102353310
tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
CID 24809074
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
2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
CID 169268052

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3cccc(C#Cc4ccc(C#Cc5ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc5)cc4)c3)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is KUTGCPRMOKBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62Si2/c1-45(2)61(46(3)4,47(5)6)42-40-57-32-28-53(29-33-57)18-16-51-20-24-55(25-21-51)36-38-59-14-13-15-60(44-59)39-37-56-26-22-52(23-27-56)17-19-54-30-34-58(35-31-54)41-43-62(48(7)8,49(9)10)50(11)12/h13-15,20-35,44-50H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 839.33 g/mol, XLogP of 14.42, 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-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane is sourced from PubChem (CID 102510770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).