3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole

C290H181N17OS5 — CID 165110869

IUPAC3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5sc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C46H30N4.C46H29N3S.C42H26N2O.2C42H26N2S.2C36H22N2S/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-30(13-4-1)40-29-41(31-14-5-2-6-15-31)48-46(47-40)32-22-25-34(26-23-32)49-42-20-9-7-16-36(42)39-28-33(24-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)35-25-27(19-23-38(35)43)28-20-24-39-36(26-28)33-21-22-34-32-16-8-10-18-40(32)45-42(34)41(33)44(39)30-13-5-2-6-14-30;1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)33-23-27(19-21-38(33)43)28-20-22-39-34(24-28)35-26-42-36(32-16-8-10-18-41(32)45-42)25-40(35)44(39)30-13-5-2-6-14-30;1-2-10-23(11-3-1)38-33-21-18-24(37-31-15-7-4-12-25(31)26-13-5-8-16-32(26)37)22-30(33)28-19-20-29-27-14-6-9-17-34(27)39-36(29)35(28)38;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-30H;1-29H;3*1-26H;2*1-22H
InChIKeyZXPGWDCJKMGIOA-UHFFFAOYSA-N
MW4080.09 g/mol
LogP80.06
Rot. Bonds23

About 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole

3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 165110869) has the molecular formula C290H181N17OS5 and a molecular weight of 4080.09 g/mol. Its IUPAC name is 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID165110869
Molecular FormulaC290H181N17OS5
Molecular Weight4080.09 g/mol
Exact Mass4076.32
IUPAC Name3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5sc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C46H30N4.C46H29N3S.C42H26N2O.2C42H26N2S.2C36H22N2S/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-30(13-4-1)40-29-41(31-14-5-2-6-15-31)48-46(47-40)32-22-25-34(26-23-32)49-42-20-9-7-16-36(42)39-28-33(24-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)35-25-27(19-23-38(35)43)28-20-24-39-36(26-28)33-21-22-34-32-16-8-10-18-40(32)45-42(34)41(33)44(39)30-13-5-2-6-14-30;1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)33-23-27(19-21-38(33)43)28-20-22-39-34(24-28)35-26-42-36(32-16-8-10-18-41(32)45-42)25-40(35)44(39)30-13-5-2-6-14-30;1-2-10-23(11-3-1)38-33-21-18-24(37-31-15-7-4-12-25(31)26-13-5-8-16-32(26)37)22-30(33)28-19-20-29-27-14-6-9-17-34(27)39-36(29)35(28)38;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-30H;1-29H;3*1-26H;2*1-22H
InChIKeyZXPGWDCJKMGIOA-UHFFFAOYSA-N
XLogP80.06
TPSA128.79 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004080.09
LogP ≤ 580.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylcarbazol-9-yl)-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-(4-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 163769068
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159569396
12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167600353
4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688
2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 157086149
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 158301992
3-(3-dibenzofuran-2-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 161059365
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[a]carbazole;2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157341997
10-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;14-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165093291
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 157152742
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole (CID 165110869) is 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc4c5ccccc5sc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZXPGWDCJKMGIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C46H29N3S.C42H26N2O.2C42H26N2S.2C36H22N2S/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-30(13-4-1)40-29-41(31-14-5-2-6-15-31)48-46(47-40)32-22-25-34(26-23-32)49-42-20-9-7-16-36(42)39-28-33(24-27-43(39)49)35-18-11-19-38-37-17-8-10-21-44(37)50-45(35)38;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)35-25-27(19-23-38(35)43)28-20-24-39-36(26-28)33-21-22-34-32-16-8-10-18-40(32)45-42(34)41(33)44(39)30-13-5-2-6-14-30;1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-3-11-29(12-4-1)43-37-17-9-7-15-31(37)33-23-27(19-21-38(33)43)28-20-22-39-34(24-28)35-26-42-36(32-16-8-10-18-41(32)45-42)25-40(35)44(39)30-13-5-2-6-14-30;1-2-10-23(11-3-1)38-33-21-18-24(37-31-15-7-4-12-25(31)26-13-5-8-16-32(26)37)22-30(33)28-19-20-29-27-14-6-9-17-34(27)39-36(29)35(28)38;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38/h1-30H;1-29H;3*1-26H;2*1-22H.
What are the key properties of 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 4080.09 g/mol, XLogP of 80.06, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;12-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;11-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 165110869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).