3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

C162H96N8OS5 — CID 160535589

IUPAC3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc(-c7ccc8c(c7)ncc7sc9ccccc9c78)c6)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)ncc6sc8ccccc8c67)c5)c4c32)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C51H31N3S.C45H27N3S.C33H19NOS.C33H19NS2/c1-2-13-36(14-3-1)53-45-18-7-4-15-38(45)40-27-28-41-39-16-5-8-19-46(39)54(51(41)50(40)53)37-24-21-32(22-25-37)33-11-10-12-34(29-33)35-23-26-42-44(30-35)52-31-48-49(42)43-17-6-9-20-47(43)55-48;1-2-12-30(13-3-1)47-39-18-7-4-15-32(39)34-23-24-35-33-16-5-8-19-40(33)48(45(35)44(34)47)31-14-10-11-28(25-31)29-21-22-36-38(26-29)46-27-42-43(36)37-17-6-9-20-41(37)49-42;1-3-10-29-24(6-1)25-9-5-8-23(33(25)35-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)36-31;1-3-10-29-24(6-1)25-9-5-8-23(33(25)36-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)35-31/h1-31H;1-27H;2*1-19H
InChIKeyQWCNEULNCLKREL-UHFFFAOYSA-N
MW2330.94 g/mol
LogP46.74
Rot. Bonds11

About 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 160535589) has the molecular formula C162H96N8OS5 and a molecular weight of 2330.94 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID160535589
Molecular FormulaC162H96N8OS5
Molecular Weight2330.94 g/mol
Exact Mass2328.63
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc(-c7ccc8c(c7)ncc7sc9ccccc9c78)c6)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)ncc6sc8ccccc8c67)c5)c4c32)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C51H31N3S.C45H27N3S.C33H19NOS.C33H19NS2/c1-2-13-36(14-3-1)53-45-18-7-4-15-38(45)40-27-28-41-39-16-5-8-19-46(39)54(51(41)50(40)53)37-24-21-32(22-25-37)33-11-10-12-34(29-33)35-23-26-42-44(30-35)52-31-48-49(42)43-17-6-9-20-47(43)55-48;1-2-12-30(13-3-1)47-39-18-7-4-15-32(39)34-23-24-35-33-16-5-8-19-40(33)48(45(35)44(34)47)31-14-10-11-28(25-31)29-21-22-36-38(26-29)46-27-42-43(36)37-17-6-9-20-41(37)49-42;1-3-10-29-24(6-1)25-9-5-8-23(33(25)35-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)36-31;1-3-10-29-24(6-1)25-9-5-8-23(33(25)36-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)35-31/h1-31H;1-27H;2*1-19H
InChIKeyQWCNEULNCLKREL-UHFFFAOYSA-N
XLogP46.74
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.94
LogP ≤ 546.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
15-(4-dibenzofuran-4-ylphenyl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-dibenzofuran-4-yl-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-dibenzothiophen-4-ylphenyl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-dibenzothiophen-4-yl-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 159961314
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158087243
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
5-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;5-dibenzothiophen-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-1-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
CID 159371655
12-[3-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole;2-(8-naphthalen-1-yldibenzofuran-4-yl)-4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(8-phenanthren-9-yldibenzothiophen-4-yl)-4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162155540
12-dibenzofuran-4-yl-11-[3-(3-phenylquinoxalin-2-yl)phenyl]indolo[2,3-a]carbazole;12-dibenzothiophen-4-yl-11-[3-(3-phenylquinoxalin-2-yl)phenyl]indolo[2,3-a]carbazole;12-(6-phenyldibenzofuran-4-yl)-11-[3-(3-phenylquinoxalin-2-yl)phenyl]indolo[2,3-a]carbazole;12-(6-phenyldibenzothiophen-4-yl)-11-[3-(3-phenylquinoxalin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 157093004
9-dibenzofuran-4-yl-3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)carbazole;3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenyl]carbazole
CID 164982315
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 160535589) is 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc(-c7ccc8c(c7)ncc7sc9ccccc9c78)c6)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)ncc6sc8ccccc8c67)c5)c4c32)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)ncc4sc6ccccc6c45)cc3)cccc12.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is QWCNEULNCLKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S.C45H27N3S.C33H19NOS.C33H19NS2/c1-2-13-36(14-3-1)53-45-18-7-4-15-38(45)40-27-28-41-39-16-5-8-19-46(39)54(51(41)50(40)53)37-24-21-32(22-25-37)33-11-10-12-34(29-33)35-23-26-42-44(30-35)52-31-48-49(42)43-17-6-9-20-47(43)55-48;1-2-12-30(13-3-1)47-39-18-7-4-15-32(39)34-23-24-35-33-16-5-8-19-40(33)48(45(35)44(34)47)31-14-10-11-28(25-31)29-21-22-36-38(26-29)46-27-42-43(36)37-17-6-9-20-41(37)49-42;1-3-10-29-24(6-1)25-9-5-8-23(33(25)35-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)36-31;1-3-10-29-24(6-1)25-9-5-8-23(33(25)36-29)21-14-12-20(13-15-21)22-16-17-26-28(18-22)34-19-31-32(26)27-7-2-4-11-30(27)35-31/h1-31H;1-27H;2*1-19H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2330.94 g/mol, XLogP of 46.74, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;3-[3-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 160535589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).