5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene

C34H16O2S — CID 164958738

IUPAC5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
SMILESc1cc2c3c(c1)oc1ccc4ccc5oc6ccc(-c7ccc8sc9ccccc9c8c7)c-2c6c5c4c13
InChIInChI=1S/C34H16O2S/c1-2-7-27-20(4-1)22-16-18(10-15-28(22)37-27)19-11-14-26-34-30(19)21-5-3-6-23-31(21)32-24(35-23)12-8-17-9-13-25(36-26)33(34)29(17)32/h1-16H
InChIKeySOCHMSXHQNLNQO-UHFFFAOYSA-N
MW488.57 g/mol
LogP10.65
Rot. Bonds1

About 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene

5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene (PubChem CID 164958738) has the molecular formula C34H16O2S and a molecular weight of 488.57 g/mol. Its IUPAC name is 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
PubChem CID164958738
Molecular FormulaC34H16O2S
Molecular Weight488.57 g/mol
Exact Mass488.09
IUPAC Name5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
SMILESc1cc2c3c(c1)oc1ccc4ccc5oc6ccc(-c7ccc8sc9ccccc9c8c7)c-2c6c5c4c13
InChIInChI=1S/C34H16O2S/c1-2-7-27-20(4-1)22-16-18(10-15-28(22)37-27)19-11-14-26-34-30(19)21-5-3-6-23-31(21)32-24(35-23)12-8-17-9-13-25(36-26)33(34)29(17)32/h1-16H
InChIKeySOCHMSXHQNLNQO-UHFFFAOYSA-N
XLogP10.65
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene with MolForge

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 147306722
4-(9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-21-yl)-N,N-diphenylaniline
CID 165033933
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-(9-dibenzothiophen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167007911
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314387
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 146964230

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene (CID 164958738) is 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene is c1cc2c3c(c1)oc1ccc4ccc5oc6ccc(-c7ccc8sc9ccccc9c8c7)c-2c6c5c4c13.
What is the InChIKey of 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?
The InChIKey is SOCHMSXHQNLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16O2S/c1-2-7-27-20(4-1)22-16-18(10-15-28(22)37-27)19-11-14-26-34-30(19)21-5-3-6-23-31(21)32-24(35-23)12-8-17-9-13-25(36-26)33(34)29(17)32/h1-16H.
What are the key properties of 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene?
5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene has a molecular weight of 488.57 g/mol, XLogP of 10.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 164958738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).