6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

C149H87N7S7 — CID 159111019

IUPAC6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)nc(-c1cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c1)c1sc3ccccc3c12.c1ccc2c(c1)nc(-c1cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c1)c1sc3ccccc3c12
InChIInChI=1S/C59H37N5S.2C45H25NS3/c1-3-15-45(16-4-1)63-52-24-12-10-22-50(52)61-58(63)40-31-27-38(28-32-40)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-41(34-30-39)59-62-51-23-11-13-25-53(51)64(59)46-17-5-2-6-18-46;1-5-19-37-35(13-1)41-36-14-4-8-22-40(36)49-45(41)42(46-37)28-24-26(29-15-9-17-33-31-11-2-6-20-38(31)47-43(29)33)23-27(25-28)30-16-10-18-34-32-12-3-7-21-39(32)48-44(30)34;1-5-13-37-33(11-1)43-34-12-4-8-16-40(34)49-45(43)44(46-37)30-22-28(26-17-19-41-35(24-26)31-9-2-6-14-38(31)47-41)21-29(23-30)27-18-20-42-36(25-27)32-10-3-7-15-39(32)48-42/h1-37H;2*1-25H
InChIKeyKEMJXLMGQQNQNF-UHFFFAOYSA-N
MW2199.85 g/mol
LogP44.29
Rot. Bonds13

About 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline

6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 159111019) has the molecular formula C149H87N7S7 and a molecular weight of 2199.85 g/mol. Its IUPAC name is 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID159111019
Molecular FormulaC149H87N7S7
Molecular Weight2199.85 g/mol
Exact Mass2197.51
IUPAC Name6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)nc(-c1cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c1)c1sc3ccccc3c12.c1ccc2c(c1)nc(-c1cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c1)c1sc3ccccc3c12
InChIInChI=1S/C59H37N5S.2C45H25NS3/c1-3-15-45(16-4-1)63-52-24-12-10-22-50(52)61-58(63)40-31-27-38(28-32-40)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-41(34-30-39)59-62-51-23-11-13-25-53(51)64(59)46-17-5-2-6-18-46;1-5-19-37-35(13-1)41-36-14-4-8-22-40(36)49-45(41)42(46-37)28-24-26(29-15-9-17-33-31-11-2-6-20-38(31)47-43(29)33)23-27(25-28)30-16-10-18-34-32-12-3-7-21-39(32)48-44(30)34;1-5-13-37-33(11-1)43-34-12-4-8-16-40(34)49-45(43)44(46-37)30-22-28(26-17-19-41-35(24-26)31-9-2-6-14-38(31)47-41)21-29(23-30)27-18-20-42-36(25-27)32-10-3-7-15-39(32)48-42/h1-37H;2*1-25H
InChIKeyKEMJXLMGQQNQNF-UHFFFAOYSA-N
XLogP44.29
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002199.85
LogP ≤ 544.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129085971
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159273511
14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123921
2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 160884959
1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole
CID 154970779
2-[9-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 160957839
1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzothiophen-4-yl]benzimidazole
CID 156659016
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
CID 58309530
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
14-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-(2-ethylbenzimidazol-1-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 161026372

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 159111019) is 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)nc(-c1cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c1)c1sc3ccccc3c12.c1ccc2c(c1)nc(-c1cc(-c3cccc4c3sc3ccccc34)cc(-c3cccc4c3sc3ccccc34)c1)c1sc3ccccc3c12.
What is the InChIKey of 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is KEMJXLMGQQNQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5S.2C45H25NS3/c1-3-15-45(16-4-1)63-52-24-12-10-22-50(52)61-58(63)40-31-27-38(28-32-40)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-41(34-30-39)59-62-51-23-11-13-25-53(51)64(59)46-17-5-2-6-18-46;1-5-19-37-35(13-1)41-36-14-4-8-22-40(36)49-45(41)42(46-37)28-24-26(29-15-9-17-33-31-11-2-6-20-38(31)47-43(29)33)23-27(25-28)30-16-10-18-34-32-12-3-7-21-39(32)48-44(30)34;1-5-13-37-33(11-1)43-34-12-4-8-16-40(34)49-45(43)44(46-37)30-22-28(26-17-19-41-35(24-26)31-9-2-6-14-38(31)47-41)21-29(23-30)27-18-20-42-36(25-27)32-10-3-7-15-39(32)48-42/h1-37H;2*1-25H.
What are the key properties of 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline?
6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2199.85 g/mol, XLogP of 44.29, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 159111019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).