6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one

C46H65NO4SSi2 — CID 10865641

IUPAC6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one
SMILESCC(C)[Si](Oc1ccc(-c2sc3cc(O[Si](C(C)C)(C(C)C)C(C)C)cc4c3c2C(=O)c2c(OCCN3CCCCC3)cccc2-4)cc1)(C(C)C)C(C)C
InChIInChI=1S/C46H65NO4SSi2/c1-29(2)53(30(3)4,31(5)6)50-36-21-19-35(20-22-36)46-44-43-39(27-37(28-41(43)52-46)51-54(32(7)8,33(9)10)34(11)12)38-17-16-18-40(42(38)45(44)48)49-26-25-47-23-14-13-15-24-47/h16-22,27-34H,13-15,23-26H2,1-12H3
InChIKeyQVLGEBKHYAJHOP-UHFFFAOYSA-N
MW784.27 g/mol
LogP13.75
Rot. Bonds15

About 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one

6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one (PubChem CID 10865641) has the molecular formula C46H65NO4SSi2 and a molecular weight of 784.27 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one
PubChem CID10865641
Molecular FormulaC46H65NO4SSi2
Molecular Weight784.27 g/mol
Exact Mass783.42
IUPAC Name6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one
SMILESCC(C)[Si](Oc1ccc(-c2sc3cc(O[Si](C(C)C)(C(C)C)C(C)C)cc4c3c2C(=O)c2c(OCCN3CCCCC3)cccc2-4)cc1)(C(C)C)C(C)C
InChIInChI=1S/C46H65NO4SSi2/c1-29(2)53(30(3)4,31(5)6)50-36-21-19-35(20-22-36)46-44-43-39(27-37(28-41(43)52-46)51-54(32(7)8,33(9)10)34(11)12)38-17-16-18-40(42(38)45(44)48)49-26-25-47-23-14-13-15-24-47/h16-22,27-34H,13-15,23-26H2,1-12H3
InChIKeyQVLGEBKHYAJHOP-UHFFFAOYSA-N
XLogP13.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.27
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one with MolForge

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Related Compounds

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2,7-dihydroxy-9-[3-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-b][1]benzothiol-10-one
CID 11812729
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
[6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 10794840

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one (CID 10865641) is 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one is CC(C)[Si](Oc1ccc(-c2sc3cc(O[Si](C(C)C)(C(C)C)C(C)C)cc4c3c2C(=O)c2c(OCCN3CCCCC3)cccc2-4)cc1)(C(C)C)C(C)C.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one?
The InChIKey is QVLGEBKHYAJHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H65NO4SSi2/c1-29(2)53(30(3)4,31(5)6)50-36-21-19-35(20-22-36)46-44-43-39(27-37(28-41(43)52-46)51-54(32(7)8,33(9)10)34(11)12)38-17-16-18-40(42(38)45(44)48)49-26-25-47-23-14-13-15-24-47/h16-22,27-34H,13-15,23-26H2,1-12H3.
What are the key properties of 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one?
6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one has a molecular weight of 784.27 g/mol, XLogP of 13.75, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one is sourced from PubChem (CID 10865641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).