7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C126H69N3S9 — CID 159997786

IUPAC7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)sc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)cc34)cccc12.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)c3cc12
InChIInChI=1S/3C42H23NS3/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-5-17-37(27)44-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-35-25(9-1)32-22-34-27-11-3-5-17-37(27)44-40(34)23-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-33-30(10-1)39-34(20-22-38-40(39)31-11-3-6-18-36(31)44-38)43(33)24-19-21-37-32(23-24)29-15-8-14-28(42(29)46-37)27-13-7-12-26-25-9-2-5-17-35(25)45-41(26)27/h3*1-23H
InChIKeyOHTNNIAQBZWTKT-UHFFFAOYSA-N
MW1913.56 g/mol
LogP40.66
Rot. Bonds6

About 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159997786) has the molecular formula C126H69N3S9 and a molecular weight of 1913.56 g/mol. Its IUPAC name is 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID159997786
Molecular FormulaC126H69N3S9
Molecular Weight1913.56 g/mol
Exact Mass1911.30
IUPAC Name7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)sc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)cc34)cccc12.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)c3cc12
InChIInChI=1S/3C42H23NS3/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-5-17-37(27)44-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-35-25(9-1)32-22-34-27-11-3-5-17-37(27)44-40(34)23-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-33-30(10-1)39-34(20-22-38-40(39)31-11-3-6-18-36(31)44-38)43(33)24-19-21-37-32(23-24)29-15-8-14-28(42(29)46-37)27-13-7-12-26-25-9-2-5-17-35(25)45-41(26)27/h3*1-23H
InChIKeyOHTNNIAQBZWTKT-UHFFFAOYSA-N
XLogP40.66
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.56
LogP ≤ 540.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-phenylcarbazol-9-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163444187
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 146533076
3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
CID 168811264
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-b]carbazole;5-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-c]carbazole;14-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165088953
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082
[3-[3-(4-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588331
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792

Frequently Asked Questions

What is the IUPAC name of 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159997786) is 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)sc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)cc34)cccc12.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1.c1ccc2c(c1)sc1cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)c3cc12.
What is the InChIKey of 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is OHTNNIAQBZWTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H23NS3/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-5-17-37(27)44-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-35-25(9-1)32-22-34-27-11-3-5-17-37(27)44-40(34)23-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-6-18-38(26)45-41(28)29;1-4-16-33-30(10-1)39-34(20-22-38-40(39)31-11-3-6-18-36(31)44-38)43(33)24-19-21-37-32(23-24)29-15-8-14-28(42(29)46-37)27-13-7-12-26-25-9-2-5-17-35(25)45-41(26)27/h3*1-23H.
What are the key properties of 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1913.56 g/mol, XLogP of 40.66, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159997786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).