[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C31H32Si — CID 14935770

IUPAC[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3
InChIKeyDYMJDYUVFYVVMH-UHFFFAOYSA-N
MW432.68 g/mol
LogP7.24
Rot. Bonds3

About [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 14935770) has the molecular formula C31H32Si and a molecular weight of 432.68 g/mol. Its IUPAC name is [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID14935770
Molecular FormulaC31H32Si
Molecular Weight432.68 g/mol
Exact Mass432.23
IUPAC Name[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3
InChIKeyDYMJDYUVFYVVMH-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 57.24
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

[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
[(3E,9E)-3,10-diethynyl-12-tri(propan-2-yl)silyl-4,9-bis[2-tri(propan-2-yl)silylethynyl]dodeca-3,9-dien-1,5,7,11-tetraynyl]-tri(propan-2-yl)silane
CID 101098365
4-[(E)-4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-6-tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-N,N-di(propan-2-yl)aniline
CID 101419042
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
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
[(E)-3,4-bis[2-[4-(12,12,14,14-tetraoxo-12λ6,14λ6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 70678090
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
CID 11738820
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
3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
CID 102235449
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
4-[3-[2-[4-(dimethylamino)phenyl]ethynyl]-4-[2-(4-nitrophenyl)ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-N,N-dimethylaniline
CID 15807635
[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
CID 14937077

Frequently Asked Questions

What is the IUPAC name of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 14935770) is [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is DYMJDYUVFYVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3.
What are the key properties of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 432.68 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 14935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).