trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane

C30H34O6S2Si2 — CID 57407588

IUPACtrimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc([Si](OC)(OC)OC)s5)cc(c2-4)CC3)s1
InChIInChI=1S/C30H34O6S2Si2/c1-31-39(32-2,33-3)27-13-11-25(37-27)23-15-19-7-9-21-17-24(18-22-10-8-20(16-23)29(19)30(21)22)26-12-14-28(38-26)40(34-4,35-5)36-6/h11-18H,7-10H2,1-6H3
InChIKeyDYGIUYNINWEWOY-UHFFFAOYSA-N
MW610.90 g/mol
LogP5.18
Rot. Bonds10

About trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane

trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane (PubChem CID 57407588) has the molecular formula C30H34O6S2Si2 and a molecular weight of 610.90 g/mol. Its IUPAC name is trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane
PubChem CID57407588
Molecular FormulaC30H34O6S2Si2
Molecular Weight610.90 g/mol
Exact Mass610.13
IUPAC Nametrimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc([Si](OC)(OC)OC)s5)cc(c2-4)CC3)s1
InChIInChI=1S/C30H34O6S2Si2/c1-31-39(32-2,33-3)27-13-11-25(37-27)23-15-19-7-9-21-17-24(18-22-10-8-20(16-23)29(19)30(21)22)26-12-14-28(38-26)40(34-4,35-5)36-6/h11-18H,7-10H2,1-6H3
InChIKeyDYGIUYNINWEWOY-UHFFFAOYSA-N
XLogP5.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.90
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[5-[5-(5-trimethoxysilylthiophen-2-yl)-2-pyridinyl]thiophen-2-yl]silane
CID 57407583
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894
2-bromo-5-[11,17,23-tris(5-bromothiophen-2-yl)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]thiophene
CID 101401774
methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
CID 46180144
2-methyl-5-[20-(5-methylthiophen-2-yl)-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]thiophene
CID 58411173
7,15-bis[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene
CID 101472414
2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
CID 140504811
[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane
CID 59027262
[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane
CID 139726944
4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
CID 15686138
5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one
CID 100968422
9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
CID 169408871

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane?
The IUPAC name of trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane (CID 57407588) is trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane.
What is the SMILES notation for trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane?
The canonical SMILES for trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane is CO[Si](OC)(OC)c1ccc(-c2cc3c4c(c2)CCc2cc(-c5ccc([Si](OC)(OC)OC)s5)cc(c2-4)CC3)s1.
What is the InChIKey of trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane?
The InChIKey is DYGIUYNINWEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6S2Si2/c1-31-39(32-2,33-3)27-13-11-25(37-27)23-15-19-7-9-21-17-24(18-22-10-8-20(16-23)29(19)30(21)22)26-12-14-28(38-26)40(34-4,35-5)36-6/h11-18H,7-10H2,1-6H3.
What are the key properties of trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane?
trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane has a molecular weight of 610.90 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[5-[7-(5-trimethoxysilylthiophen-2-yl)-4,5,9,10-tetrahydropyren-2-yl]thiophen-2-yl]silane is sourced from PubChem (CID 57407588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).