2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

C54H86Si4 — CID 10653117

IUPAC2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1c(C#C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C54H86Si4/c1-27-49-50(28-2)52(30-34-56(40(9)10,41(11)12)42(13)14)54(32-36-58(46(21)22,47(23)24)48(25)26)53(31-35-57(43(15)16,44(17)18)45(19)20)51(49)29-33-55(37(3)4,38(5)6)39(7)8/h1-2,37-48H,3-26H3
InChIKeySRRWMPIPSOESOS-UHFFFAOYSA-N
MW847.63 g/mol
LogP15.93
Rot. Bonds12

About 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 10653117) has the molecular formula C54H86Si4 and a molecular weight of 847.63 g/mol. Its IUPAC name is 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID10653117
Molecular FormulaC54H86Si4
Molecular Weight847.63 g/mol
Exact Mass846.58
IUPAC Name2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1c(C#C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C54H86Si4/c1-27-49-50(28-2)52(30-34-56(40(9)10,41(11)12)42(13)14)54(32-36-58(46(21)22,47(23)24)48(25)26)53(31-35-57(43(15)16,44(17)18)45(19)20)51(49)29-33-55(37(3)4,38(5)6)39(7)8/h1-2,37-48H,3-26H3
InChIKeySRRWMPIPSOESOS-UHFFFAOYSA-N
XLogP15.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.63
LogP ≤ 515.93
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

2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 53259172
4-[2,3,4,5,6-pentakis[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]buta-1,3-diynyl-tri(propan-2-yl)silane
CID 15047163
2-(2-ethynylcyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 25139239
2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 11099840
buta-1,3-diynyl-tri(propan-2-yl)silane
CID 11790402
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
1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
CID 73211982
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
CID 15196660
2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
CID 11136543
2-ethynyl-3,6-diimino-5-[2-tri(propan-2-yl)silylethynyl]cyclohexa-1,4-diene-1,4-diamine
CID 139186519
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (CID 10653117) is 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is C#Cc1c(C#C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is SRRWMPIPSOESOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H86Si4/c1-27-49-50(28-2)52(30-34-56(40(9)10,41(11)12)42(13)14)54(32-36-58(46(21)22,47(23)24)48(25)26)53(31-35-57(43(15)16,44(17)18)45(19)20)51(49)29-33-55(37(3)4,38(5)6)39(7)8/h1-2,37-48H,3-26H3.
What are the key properties of 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 847.63 g/mol, XLogP of 15.93, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 10653117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).