triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane

C34H38S2Si2 — CID 59204158

IUPACtriethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
SMILESCC[Si](C#Cc1c2cc3ccsc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccsc3cc12)(CC)CC
InChIInChI=1S/C34H38S2Si2/c1-7-37(8-2,9-3)19-15-27-29-21-25-13-17-36-34(25)24-32(29)28(16-20-38(10-4,11-5)12-6)30-22-26-14-18-35-33(26)23-31(27)30/h13-14,17-18,21-24H,7-12H2,1-6H3
InChIKeyNYBWUHOMYZZKOR-UHFFFAOYSA-N
MW566.98 g/mol
LogP11.22
Rot. Bonds6

About triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane

triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane (PubChem CID 59204158) has the molecular formula C34H38S2Si2 and a molecular weight of 566.98 g/mol. Its IUPAC name is triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
PubChem CID59204158
Molecular FormulaC34H38S2Si2
Molecular Weight566.98 g/mol
Exact Mass566.20
IUPAC Nametriethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
SMILESCC[Si](C#Cc1c2cc3ccsc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccsc3cc12)(CC)CC
InChIInChI=1S/C34H38S2Si2/c1-7-37(8-2,9-3)19-15-27-29-21-25-13-17-36-34(25)24-32(29)28(16-20-38(10-4,11-5)12-6)30-22-26-14-18-35-33(26)23-31(27)30/h13-14,17-18,21-24H,7-12H2,1-6H3
InChIKeyNYBWUHOMYZZKOR-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.98
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane with MolForge

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Related Compounds

tri(butan-2-yl)-[2-(6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,16,19-nonaen-2-yl)ethynyl]silane
CID 122390718
2-[7,17-dimethyl-12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-triethylsilane
CID 102299344
triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,7,9,14,17,19-octaen-2-yl]ethynyl]silane
CID 132519403
2-[2,6-bis(5-thiophen-2-ylthiophen-2-yl)-10-(2-triethylsilylethynyl)anthracen-9-yl]ethynyl-triethylsilane
CID 102581509
tri(heptan-4-yl)-[2-[16-[2-tri(heptan-4-yl)silylethynyl]-8,22-dithia-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3,5(13),6,9,11,14,16,18,20,23,25,27-tridecaen-2-yl]ethynyl]silane
CID 59467648
7-methyl-8-[(Z)-prop-1-enyl]-5,10-bis(prop-1-ynyl)naphtho[2,3-f][1]benzothiole
CID 170269188
2-[13-[2-[diethyl(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl-diethyl-propan-2-ylsilane
CID 91570455
5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410946
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823
2,12-bis(3-ethyl-3-methoxypent-1-ynyl)-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15,17,19-decaene;2,12-bis(3-methoxy-3-methylbut-1-ynyl)-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15,17,19-decaene;2,12-bis(3-methoxy-4-methyl-3-propan-2-ylpent-1-ynyl)-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15,17,19-decaene
CID 157060566
3-methylthieno[3,2-f][1]benzothiole
CID 20824629
2-(7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 58410993

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The IUPAC name of triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane (CID 59204158) is triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane is CC[Si](C#Cc1c2cc3ccsc3cc2c(C#C[Si](CC)(CC)CC)c2cc3ccsc3cc12)(CC)CC.
What is the InChIKey of triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The InChIKey is NYBWUHOMYZZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38S2Si2/c1-7-37(8-2,9-3)19-15-27-29-21-25-13-17-36-34(25)24-32(29)28(16-20-38(10-4,11-5)12-6)30-22-26-14-18-35-33(26)23-31(27)30/h13-14,17-18,21-24H,7-12H2,1-6H3.
What are the key properties of triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane has a molecular weight of 566.98 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane is sourced from PubChem (CID 59204158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).