11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

C206H125N11O2S5 — CID 159571374

About 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (PubChem CID 159571374) has the molecular formula C206H125N11O2S5 and a molecular weight of 2946.68 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
• PubChem CID: 159571374
• Molecular Formula: C206H125N11O2S5
• Molecular Weight: 2946.68 g/mol
• Exact Mass: 2943.86
• IUPAC Name: 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6sc7ccccc7c56)c4)c3cc21.c1cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)cc(-c2c3ccccc3nc3sc4ccccc4c23)c1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4c5ccccc5nc5sc6ccccc6c45)c2)c2ccccc2-3)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6c7ccccc7nc7sc8ccccc8c67)c5)c4c32)cc1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(nc2c1)sc1ccccc13
• InChI: InChI=1S/C47H29N3S.C45H27N3S.C42H28N2S.C39H21NO2S.C33H20N2S/c1-2-16-31(17-3-1)50-40-26-11-6-21-35(40)44-34-20-5-10-25-39(34)49(41-27-12-7-22-36(41)46(44)50)32-18-14-15-30(29-32)43-33-19-4-9-24-38(33)48-47-45(43)37-23-8-13-28-42(37)51-47;1-2-14-29(15-3-1)47-38-22-9-5-17-31(38)33-25-26-34-32-18-6-10-23-39(32)48(44(34)43(33)47)30-16-12-13-28(27-30)41-35-19-4-8-21-37(35)46-45-42(41)36-20-7-11-24-40(36)49-45;1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-41-40(39)30-17-6-10-21-38(30)45-41;1-5-16-30-26(14-1)34(36-27-15-4-8-19-33(27)43-39(36)40-30)22-10-9-11-23(20-22)35-37-28(24-12-2-6-17-31(24)41-37)21-29-25-13-3-7-18-32(25)42-38(29)35;1-5-13-27-25(11-1)31(32-26-12-4-8-16-30(26)36-33(32)34-27)21-17-19-22(20-18-21)35-28-14-6-2-9-23(28)24-10-3-7-15-29(24)35/h1-29H;1-27H;3-24H,1-2H3;1-21H;1-20H
• InChIKey: MHWBHXTXXFVDDM-UHFFFAOYSA-N
• XLogP: 58.57
• TPSA: 118.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.68
LogP ≤ 5	58.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?

The IUPAC name of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (CID 159571374) is 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.

What is the SMILES notation for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?

The canonical SMILES for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6sc7ccccc7c56)c4)c3cc21.c1cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)cc(-c2c3ccccc3nc3sc4ccccc4c23)c1.c1ccc(-n2c3c(c4ccccc42)-c2ccccc2N(c2cccc(-c4c5ccccc5nc5sc6ccccc6c45)c2)c2ccccc2-3)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6c7ccccc7nc7sc8ccccc8c67)c5)c4c32)cc1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(nc2c1)sc1ccccc13.

What is the InChIKey of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?

The InChIKey is MHWBHXTXXFVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S.C45H27N3S.C42H28N2S.C39H21NO2S.C33H20N2S/c1-2-16-31(17-3-1)50-40-26-11-6-21-35(40)44-34-20-5-10-25-39(34)49(41-27-12-7-22-36(41)46(44)50)32-18-14-15-30(29-32)43-33-19-4-9-24-38(33)48-47-45(43)37-23-8-13-28-42(37)51-47;1-2-14-29(15-3-1)47-38-22-9-5-17-31(38)33-25-26-34-32-18-6-10-23-39(32)48(44(34)43(33)47)30-16-12-13-28(27-30)41-35-19-4-8-21-37(35)46-45-42(41)36-20-7-11-24-40(36)49-45;1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-41-40(39)30-17-6-10-21-38(30)45-41;1-5-16-30-26(14-1)34(36-27-15-4-8-19-33(27)43-39(36)40-30)22-10-9-11-23(20-22)35-37-28(24-12-2-6-17-31(24)41-37)21-29-25-13-3-7-18-32(25)42-38(29)35;1-5-13-27-25(11-1)31(32-26-12-4-8-16-30(26)36-33(32)34-27)21-17-19-22(20-18-21)35-28-14-6-2-9-23(28)24-10-3-7-15-29(24)35/h1-29H;1-27H;3-24H,1-2H3;1-21H;1-20H.

What are the key properties of 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?

11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 2946.68 g/mol, XLogP of 58.57, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 159571374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).