6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole

C150H91N9OS3 — CID 160780233

IUPAC6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7c7sc8ccccc8c67)ccc54)c3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6sc7ccccc7c56)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)c4c5ccccc5sc4c32)cc1
InChIInChI=1S/C62H38N4S.C52H32N4S.C36H21NOS/c1-3-17-40(18-4-1)53-38-54(41-19-5-2-6-20-41)64-62(63-53)44-22-15-23-45(35-44)65-55-27-12-9-24-47(55)51-36-43(31-33-57(51)65)50-37-52-48-25-10-13-28-56(48)66(46-32-30-39-16-7-8-21-42(39)34-46)60(52)61-59(50)49-26-11-14-29-58(49)67-61;1-4-16-33(17-5-1)43-32-48(54-52(53-43)34-18-6-2-7-19-34)56-45-26-14-10-22-37(45)41-30-35(28-29-46(41)56)40-31-42-38-23-11-13-25-44(38)55(36-20-8-3-9-21-36)50(42)51-49(40)39-24-12-15-27-47(39)57-51;1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-28(34-27-14-6-9-17-33(27)39-36(34)35(29)37)22-18-19-26-25-13-5-8-16-31(25)38-32(26)20-22/h1-38H;1-32H;1-21H
InChIKeySAMCPFRIMXSXBU-UHFFFAOYSA-N
MW2131.64 g/mol
LogP41.62
Rot. Bonds13

About 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole

6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 160780233) has the molecular formula C150H91N9OS3 and a molecular weight of 2131.64 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole
PubChem CID160780233
Molecular FormulaC150H91N9OS3
Molecular Weight2131.64 g/mol
Exact Mass2129.65
IUPAC Name6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7c7sc8ccccc8c67)ccc54)c3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6sc7ccccc7c56)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)c4c5ccccc5sc4c32)cc1
InChIInChI=1S/C62H38N4S.C52H32N4S.C36H21NOS/c1-3-17-40(18-4-1)53-38-54(41-19-5-2-6-20-41)64-62(63-53)44-22-15-23-45(35-44)65-55-27-12-9-24-47(55)51-36-43(31-33-57(51)65)50-37-52-48-25-10-13-28-56(48)66(46-32-30-39-16-7-8-21-42(39)34-46)60(52)61-59(50)49-26-11-14-29-58(49)67-61;1-4-16-33(17-5-1)43-32-48(54-52(53-43)34-18-6-2-7-19-34)56-45-26-14-10-22-37(45)41-30-35(28-29-46(41)56)40-31-42-38-23-11-13-25-44(38)55(36-20-8-3-9-21-36)50(42)51-49(40)39-24-12-15-27-47(39)57-51;1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-28(34-27-14-6-9-17-33(27)39-36(34)35(29)37)22-18-19-26-25-13-5-8-16-31(25)38-32(26)20-22/h1-38H;1-32H;1-21H
InChIKeySAMCPFRIMXSXBU-UHFFFAOYSA-N
XLogP41.62
TPSA89.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002131.64
LogP ≤ 541.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

4-(3-Dibenzofuran-2-yl-5-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 129085984
15-Dibenzofuran-2-yl-9-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13(18),14,16,20,22,24,26,28-tetradecaene
CID 129092656
12-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 129290134
12-(2-Naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 134224645
15-(3-Dibenzofuran-3-yl-[1]benzothiolo[2,3-b]pyrazin-2-yl)-5-thia-15-azaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene
CID 134224670
20-(7-Phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 134224864
3-[4-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[3-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 160780170
2-Dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 163563948
1-Dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 163643947
12-[6-(4-Dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-7-[12-[6-(4-dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-18-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163644582
12-[6-(4-Dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 163644749
9-[9-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 163645111

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole (CID 160780233) is 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7c7sc8ccccc8c67)ccc54)c3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6sc7ccccc7c56)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)c4c5ccccc5sc4c32)cc1.
What is the InChIKey of 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is SAMCPFRIMXSXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4S.C52H32N4S.C36H21NOS/c1-3-17-40(18-4-1)53-38-54(41-19-5-2-6-20-41)64-62(63-53)44-22-15-23-45(35-44)65-55-27-12-9-24-47(55)51-36-43(31-33-57(51)65)50-37-52-48-25-10-13-28-56(48)66(46-32-30-39-16-7-8-21-42(39)34-46)60(52)61-59(50)49-26-11-14-29-58(49)67-61;1-4-16-33(17-5-1)43-32-48(54-52(53-43)34-18-6-2-7-19-34)56-45-26-14-10-22-37(45)41-30-35(28-29-46(41)56)40-31-42-38-23-11-13-25-44(38)55(36-20-8-3-9-21-36)50(42)51-49(40)39-24-12-15-27-47(39)57-51;1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-28(34-27-14-6-9-17-33(27)39-36(34)35(29)37)22-18-19-26-25-13-5-8-16-31(25)38-32(26)20-22/h1-38H;1-32H;1-21H.
What are the key properties of 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole?
6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2131.64 g/mol, XLogP of 41.62, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 160780233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).