10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C48H28O2S — CID 122629663

IUPAC10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6-c6ccccc6O7)cc5c4c3)cc1-c1ccccc1-2
InChIInChI=1S/C48H28O2S/c1-3-11-35-33(9-1)37-13-5-7-15-43(37)49-45-21-17-29(25-39(35)45)31-19-23-47-41(27-31)42-28-32(20-24-48(42)51-47)30-18-22-46-40(26-30)36-12-4-2-10-34(36)38-14-6-8-16-44(38)50-46/h1-28H
InChIKeyNYMOXOHWNVPTKK-UHFFFAOYSA-N
MW668.82 g/mol
LogP14.27
Rot. Bonds2

About 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 122629663) has the molecular formula C48H28O2S and a molecular weight of 668.82 g/mol. Its IUPAC name is 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID122629663
Molecular FormulaC48H28O2S
Molecular Weight668.82 g/mol
Exact Mass668.18
IUPAC Name10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6-c6ccccc6O7)cc5c4c3)cc1-c1ccccc1-2
InChIInChI=1S/C48H28O2S/c1-3-11-35-33(9-1)37-13-5-7-15-43(37)49-45-21-17-29(25-39(35)45)31-19-23-47-41(27-31)42-28-32(20-24-48(42)51-47)30-18-22-46-40(26-30)36-12-4-2-10-34(36)38-14-6-8-16-44(38)50-46/h1-28H
InChIKeyNYMOXOHWNVPTKK-UHFFFAOYSA-N
XLogP14.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Related Compounds

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
2-(40-tetradecacyclo[42.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,43.046,59.047,52.053,58]hexaconta-1(44),2(19),3,5,7,9,11,13,15,17,20(37),21,23,25,27,29,31,33,35,38(43),39,41,45,47,49,51,53,55,57,59-triacontaenyl)dibenzothiophene
CID 134429068
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629635
N-(4-phenylphenyl)-N-(35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130465378
N-[4-(14,21-dioxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118442382
10-(4-dibenzofuran-4-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122629685
6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 137067026
3,12-diphenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaene
CID 118860586
N-(4-dibenzothiophen-4-ylphenyl)-18-phenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598300

Frequently Asked Questions

What is the IUPAC name of 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 122629663) is 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6-c6ccccc6O7)cc5c4c3)cc1-c1ccccc1-2.
What is the InChIKey of 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is NYMOXOHWNVPTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2S/c1-3-11-35-33(9-1)37-13-5-7-15-43(37)49-45-21-17-29(25-39(35)45)31-19-23-47-41(27-31)42-28-32(20-24-48(42)51-47)30-18-22-46-40(26-30)36-12-4-2-10-34(36)38-14-6-8-16-44(38)50-46/h1-28H.
What are the key properties of 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 668.82 g/mol, XLogP of 14.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)dibenzothiophen-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 122629663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).