15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C40H24OS — CID 177298119

IUPAC15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4ccccc4-c4cccc5sc6ccccc6c45)cc-2c13
InChIInChI=1S/C40H24OS/c1-2-13-28(29-14-3-4-15-30(29)32-18-10-22-38-40(32)33-17-6-8-21-37(33)42-38)27(12-1)26-23-25-11-9-20-36-39(25)34(24-26)31-16-5-7-19-35(31)41-36/h1-24H
InChIKeyNYFMKOLBZBUOPH-UHFFFAOYSA-N
MW552.70 g/mol
LogP11.98
Rot. Bonds3

About 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 177298119) has the molecular formula C40H24OS and a molecular weight of 552.70 g/mol. Its IUPAC name is 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID177298119
Molecular FormulaC40H24OS
Molecular Weight552.70 g/mol
Exact Mass552.15
IUPAC Name15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4ccccc4-c4cccc5sc6ccccc6c45)cc-2c13
InChIInChI=1S/C40H24OS/c1-2-13-28(29-14-3-4-15-30(29)32-18-10-22-38-40(32)33-17-6-8-21-37(33)42-38)27(12-1)26-23-25-11-9-20-36-39(25)34(24-26)31-16-5-7-19-35(31)41-36/h1-24H
InChIKeyNYFMKOLBZBUOPH-UHFFFAOYSA-N
XLogP11.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.70
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

15-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297900
4-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299288
4-(3-dibenzothiophen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299128
4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299134
15-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297908
15-(2-dibenzofuran-4-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297745
1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran
CID 177298062
N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 174304804
15-[4-(6-phenyldibenzofuran-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177299157
15-(3-phenyl-5-pyren-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045935
3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177298182
15-[4-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177127535

Frequently Asked Questions

What is the IUPAC name of 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 177298119) is 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(c1)Oc1cccc3cc(-c4ccccc4-c4ccccc4-c4cccc5sc6ccccc6c45)cc-2c13.
What is the InChIKey of 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is NYFMKOLBZBUOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24OS/c1-2-13-28(29-14-3-4-15-30(29)32-18-10-22-38-40(32)33-17-6-8-21-37(33)42-38)27(12-1)26-23-25-11-9-20-36-39(25)34(24-26)31-16-5-7-19-35(31)41-36/h1-24H.
What are the key properties of 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 552.70 g/mol, XLogP of 11.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 177298119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).