11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

C18H10OS — CID 102133672

IUPAC11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
SMILESc1ccc2c(c1)ccc1c2oc2c3ccccc3sc12
InChIInChI=1S/C18H10OS/c1-2-6-12-11(5-1)9-10-14-16(12)19-17-13-7-3-4-8-15(13)20-18(14)17/h1-10H
InChIKeyUQTWSSKFNZDHST-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.95
Rot. Bonds

About 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (PubChem CID 102133672) has the molecular formula C18H10OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
PubChem CID102133672
Molecular FormulaC18H10OS
Molecular Weight274.34 g/mol
Exact Mass274.05
IUPAC Name11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
SMILESc1ccc2c(c1)ccc1c2oc2c3ccccc3sc12
InChIInChI=1S/C18H10OS/c1-2-6-12-11(5-1)9-10-14-16(12)19-17-13-7-3-4-8-15(13)20-18(14)17/h1-10H
InChIKeyUQTWSSKFNZDHST-UHFFFAOYSA-N
XLogP5.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

16-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185744
5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-1-ylanthracen-9-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 177271097
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638
N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177122272
11-(10-phenylanthracen-9-yl)-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130190400
2,7-di(dibenzothiophen-3-yl)-[1]benzothiolo[3,2-b][1]benzofuran
CID 147991846
4-[9-(4-chlorophenyl)dibenzothiophen-4-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145430454
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-4-amine
CID 174282856
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239541
N-dibenzothiophen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121474

Frequently Asked Questions

What is the IUPAC name of 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The IUPAC name of 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (CID 102133672) is 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.
What is the SMILES notation for 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The canonical SMILES for 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is c1ccc2c(c1)ccc1c2oc2c3ccccc3sc12.
What is the InChIKey of 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The InChIKey is UQTWSSKFNZDHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10OS/c1-2-6-12-11(5-1)9-10-14-16(12)19-17-13-7-3-4-8-15(13)20-18(14)17/h1-10H.
What are the key properties of 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene has a molecular weight of 274.34 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-3-thiapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is sourced from PubChem (CID 102133672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).