3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C283H173N19OS5 — CID 157242597

IUPAC3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1
InChIInChI=1S/C48H30N2S.C44H28N4.2C42H26N2S.C36H21N3O.C36H21N3S.C35H21N3S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)50(43)35-26-27-46-42(30-35)39-18-3-7-24-45(39)49(46)34-15-10-13-32(29-34)31-12-9-14-33(28-31)36-20-11-21-41-40-19-4-8-25-47(40)51-48(36)41;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-30H;1-28H;2*1-26H;2*1-21H;1-21H
InChIKeyAVJOZRCDDFKKNS-UHFFFAOYSA-N
MW4015.96 g/mol
LogP77.58
Rot. Bonds20

About 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 157242597) has the molecular formula C283H173N19OS5 and a molecular weight of 4015.96 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID157242597
Molecular FormulaC283H173N19OS5
Molecular Weight4015.96 g/mol
Exact Mass4012.27
IUPAC Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1
InChIInChI=1S/C48H30N2S.C44H28N4.2C42H26N2S.C36H21N3O.C36H21N3S.C35H21N3S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)50(43)35-26-27-46-42(30-35)39-18-3-7-24-45(39)49(46)34-15-10-13-32(29-34)31-12-9-14-33(28-31)36-20-11-21-41-40-19-4-8-25-47(40)51-48(36)41;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-30H;1-28H;2*1-26H;2*1-21H;1-21H
InChIKeyAVJOZRCDDFKKNS-UHFFFAOYSA-N
XLogP77.58
TPSA162.53 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004015.96
LogP ≤ 577.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene 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
9-[1-Carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
CID 159483782
9-Dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-2-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-3-ylanthracen-9-yl)carbazole;9-dibenzofuran-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-dibenzothiophen-2-yl-3-isocyano-6-(10-pyridin-4-ylanthracen-9-yl)carbazole;9-(4-fluorophenyl)-3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)carbazole;3-isocyano-9-(4-nitrophenyl)-6-(10-quinolin-8-ylanthracen-9-yl)carbazole;3-isocyano-6-(10-quinolin-2-ylanthracen-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole;3-isocyano-6-(10-quinolin-8-ylanthracen-9-yl)-9-[5-(trifluoromethyl)-2-pyridinyl]carbazole
CID 160380488
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
4-[3-(4-Cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
CID 164964375
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
9-[8-(8-Pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 58501581
11-[4-(3-Dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 117827055
9-[3,5-Bis(8-phenyldibenzothiophen-2-yl)phenyl]-14-(4-dibenzofuran-2-ylpyrimidin-2-yl)-5,18-bis(3-methylbutyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 117862898
8-[6-[5-[4,6-Di(dibenzothiophen-2-yl)pyrimidin-2-yl]indolo[2,3-b]carbazol-7-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
CID 117862971

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 157242597) is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is AVJOZRCDDFKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S.C44H28N4.2C42H26N2S.C36H21N3O.C36H21N3S.C35H21N3S/c1-5-22-43-37(16-1)38-17-2-6-23-44(38)50(43)35-26-27-46-42(30-35)39-18-3-7-24-45(39)49(46)34-15-10-13-32(29-34)31-12-9-14-33(28-31)36-20-11-21-41-40-19-4-8-25-47(40)51-48(36)41;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-32-27-18-8-11-21-30(27)40-35(32)24-15-5-4-14-23(24)34(31)39;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38/h1-30H;1-28H;2*1-26H;2*1-21H;1-21H.
What are the key properties of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 4015.96 g/mol, XLogP of 77.58, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 157242597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).