5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole

C139H84N12OS2 — CID 157247457

IUPAC5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
SMILESc1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6cnccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4ccc(-n5c6cccnc6c6ncncc65)cc4c3c2)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C53H32N4O.C45H27N5S.C41H25N3S/c1-7-17-47-38(11-1)39-12-2-8-18-48(39)56(47)36-27-34(28-37(30-36)57-49-19-9-3-13-40(49)41-14-4-10-20-50(41)57)33-21-23-52-44(29-33)45-31-35(22-24-53(45)58-52)55-46-16-6-5-15-42(46)43-25-26-54-32-51(43)55;1-3-14-38-34(12-1)35-13-2-4-15-39(35)49(38)32-11-6-10-30(23-32)28-8-5-9-29(22-28)31-17-19-42-36(24-31)37-25-33(18-20-43(37)51-42)50-40-16-7-21-47-44(40)45-41(50)26-46-27-48-45;1-4-13-36-30(10-1)31-11-2-5-14-37(31)43(36)28-9-7-8-26(22-28)27-16-18-40-33(23-27)34-24-29(17-19-41(34)45-40)44-38-15-6-3-12-32(38)35-25-42-21-20-39(35)44/h1-32H;1-27H;1-25H
InChIKeyAVYGNUGBKGGOSP-UHFFFAOYSA-N
MW2002.42 g/mol
LogP37.02
Rot. Bonds11

About 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole

5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole (PubChem CID 157247457) has the molecular formula C139H84N12OS2 and a molecular weight of 2002.42 g/mol. Its IUPAC name is 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
PubChem CID157247457
Molecular FormulaC139H84N12OS2
Molecular Weight2002.42 g/mol
Exact Mass2000.63
IUPAC Name5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
SMILESc1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6cnccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4ccc(-n5c6cccnc6c6ncncc65)cc4c3c2)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C53H32N4O.C45H27N5S.C41H25N3S/c1-7-17-47-38(11-1)39-12-2-8-18-48(39)56(47)36-27-34(28-37(30-36)57-49-19-9-3-13-40(49)41-14-4-10-20-50(41)57)33-21-23-52-44(29-33)45-31-35(22-24-53(45)58-52)55-46-16-6-5-15-42(46)43-25-26-54-32-51(43)55;1-3-14-38-34(12-1)35-13-2-4-15-39(35)49(38)32-11-6-10-30(23-32)28-8-5-9-29(22-28)31-17-19-42-36(24-31)37-25-33(18-20-43(37)51-42)50-40-16-7-21-47-44(40)45-41(50)26-46-27-48-45;1-4-13-36-30(10-1)31-11-2-5-14-37(31)43(36)28-9-7-8-26(22-28)27-16-18-40-33(23-27)34-24-29(17-19-41(34)45-40)44-38-15-6-3-12-32(38)35-25-42-21-20-39(35)44/h1-32H;1-27H;1-25H
InChIKeyAVYGNUGBKGGOSP-UHFFFAOYSA-N
XLogP37.02
TPSA112.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.42
LogP ≤ 537.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
CID 157743742
CID 157743742
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
[4-[2,8-bis(N-phenylanilino)dibenzofuran-3-yl]-2-pyridinyl] trifluoromethanesulfonate;[3-[8-[3-(N-naphthalen-2-ylanilino)phenyl]-1-[2-(N-phenylanilino)phenyl]dibenzofuran-3-yl]phenyl] trifluoromethanesulfonate;[3-[7-[3-(N-naphthalen-2-ylanilino)phenyl]-1-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl] trifluoromethanesulfonate;[3-[5-[3-(N-naphthalen-2-ylanilino)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-9-yl]phenyl] trifluoromethanesulfonate;[8-[4-[phenanthren-2-yl-(5-phenylpyrimido[5,4-b]indol-7-yl)amino]phenyl]-2-[5-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-3-yl] trifluoromethanesulfonate
CID 164057806
8-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-(3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544050
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
8-(2-Pyrimidin-2-ylphenyl)-5-[8-[8-(2-pyrimidin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 57958302
8-[2-(1,5-Dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57958306
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322

Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?
The IUPAC name of 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole (CID 157247457) is 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole.
What is the SMILES notation for 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?
The canonical SMILES for 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole is c1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6cnccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4ccc(-n5c6cccnc6c6ncncc65)cc4c3c2)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccncc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?
The InChIKey is AVYGNUGBKGGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.C45H27N5S.C41H25N3S/c1-7-17-47-38(11-1)39-12-2-8-18-48(39)56(47)36-27-34(28-37(30-36)57-49-19-9-3-13-40(49)41-14-4-10-20-50(41)57)33-21-23-52-44(29-33)45-31-35(22-24-53(45)58-52)55-46-16-6-5-15-42(46)43-25-26-54-32-51(43)55;1-3-14-38-34(12-1)35-13-2-4-15-39(35)49(38)32-11-6-10-30(23-32)28-8-5-9-29(22-28)31-17-19-42-36(24-31)37-25-33(18-20-43(37)51-42)50-40-16-7-21-47-44(40)45-41(50)26-46-27-48-45;1-4-13-36-30(10-1)31-11-2-5-14-37(31)43(36)28-9-7-8-26(22-28)27-16-18-40-33(23-27)34-24-29(17-19-41(34)45-40)44-38-15-6-3-12-32(38)35-25-42-21-20-39(35)44/h1-32H;1-27H;1-25H.
What are the key properties of 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole?
5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole has a molecular weight of 2002.42 g/mol, XLogP of 37.02, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]pyrido[4,3-b]indole;8-[8-[3-(3-carbazol-9-ylphenyl)phenyl]dibenzothiophen-2-yl]-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;9-[8-[3,5-di(carbazol-9-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 157247457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).