9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

C175H106N12OS3 — CID 163659170

IUPAC9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3ccc4sc5c(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1
InChIInChI=1S/2C59H36N4S.C57H34N4OS/c1-3-14-37(15-4-1)40-19-13-20-41(32-40)42-29-31-55-50(34-42)51-35-45(63-53-24-11-9-22-48(53)49-23-10-12-25-54(49)63)36-52(56(51)64-55)59-61-57(39-17-5-2-6-18-39)60-58(62-59)44-28-30-47-43(33-44)27-26-38-16-7-8-21-46(38)47;1-3-14-37(15-4-1)41-19-13-20-42(32-41)43-30-31-55-50(33-43)51-35-45(63-53-24-11-9-22-47(53)48-23-10-12-25-54(48)63)36-52(56(51)64-55)59-61-57(40-17-5-2-6-18-40)60-58(62-59)44-29-28-39-27-26-38-16-7-8-21-46(38)49(39)34-44;1-3-15-35(16-4-1)37-19-13-20-38(31-37)39-29-30-52-45(32-39)46-33-40(61-48-25-10-7-21-41(48)42-22-8-11-26-49(42)61)34-47(54(46)63-52)57-59-55(36-17-5-2-6-18-36)58-56(60-57)44-24-14-28-51-53(44)43-23-9-12-27-50(43)62-51/h2*1-36H;1-34H/i2*2D,5D,6D,17D,18D;
InChIKeyISXAJSNCQLAVQB-HYVULHBESA-N
MW2499.12 g/mol
LogP47.53
Rot. Bonds18

About 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole

9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 163659170) has the molecular formula C175H106N12OS3 and a molecular weight of 2499.12 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
PubChem CID163659170
Molecular FormulaC175H106N12OS3
Molecular Weight2499.12 g/mol
Exact Mass2496.84
IUPAC Name9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3ccc4sc5c(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1
InChIInChI=1S/2C59H36N4S.C57H34N4OS/c1-3-14-37(15-4-1)40-19-13-20-41(32-40)42-29-31-55-50(34-42)51-35-45(63-53-24-11-9-22-48(53)49-23-10-12-25-54(49)63)36-52(56(51)64-55)59-61-57(39-17-5-2-6-18-39)60-58(62-59)44-28-30-47-43(33-44)27-26-38-16-7-8-21-46(38)47;1-3-14-37(15-4-1)41-19-13-20-42(32-41)43-30-31-55-50(33-43)51-35-45(63-53-24-11-9-22-47(53)48-23-10-12-25-54(48)63)36-52(56(51)64-55)59-61-57(40-17-5-2-6-18-40)60-58(62-59)44-29-28-39-27-26-38-16-7-8-21-46(38)49(39)34-44;1-3-15-35(16-4-1)37-19-13-20-38(31-37)39-29-30-52-45(32-39)46-33-40(61-48-25-10-7-21-41(48)42-22-8-11-26-49(42)61)34-47(54(46)63-52)57-59-55(36-17-5-2-6-18-36)58-56(60-57)44-24-14-28-51-53(44)43-23-9-12-27-50(43)62-51/h2*1-36H;1-34H/i2*2D,5D,6D,17D,18D;
InChIKeyISXAJSNCQLAVQB-HYVULHBESA-N
XLogP47.53
TPSA143.94 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.12
LogP ≤ 547.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

11-Phenyl-8-(14-phenyl-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-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole
CID 134223481
11-Phenyl-8-(14-phenyl-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-nonaen-18-yl)-2-[14-phenyl-18-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-12-yl]-[1]benzofuro[3,2-b]carbazole
CID 134223489
14-Phenyl-18-(14-phenyl-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-nonaen-18-yl)-11-[14-phenyl-18-(14-phenyl-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-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-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 134223496
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
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
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
CID 163643732
CID 163643732
3-(4-Dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643733
3-(4-Dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643734
3-[4-Dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643736

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole (CID 163659170) is 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccc(-c5cccc(-c6ccccc6)c5)cc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3ccc4sc5c(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1.
What is the InChIKey of 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The InChIKey is ISXAJSNCQLAVQB-HYVULHBESA-N. The full InChI is InChI=1S/2C59H36N4S.C57H34N4OS/c1-3-14-37(15-4-1)40-19-13-20-41(32-40)42-29-31-55-50(34-42)51-35-45(63-53-24-11-9-22-48(53)49-23-10-12-25-54(49)63)36-52(56(51)64-55)59-61-57(39-17-5-2-6-18-39)60-58(62-59)44-28-30-47-43(33-44)27-26-38-16-7-8-21-46(38)47;1-3-14-37(15-4-1)41-19-13-20-42(32-41)43-30-31-55-50(33-43)51-35-45(63-53-24-11-9-22-47(53)48-23-10-12-25-54(48)63)36-52(56(51)64-55)59-61-57(40-17-5-2-6-18-40)60-58(62-59)44-29-28-39-27-26-38-16-7-8-21-46(38)49(39)34-44;1-3-15-35(16-4-1)37-19-13-20-38(31-37)39-29-30-52-45(32-39)46-33-40(61-48-25-10-7-21-41(48)42-22-8-11-26-49(42)61)34-47(54(46)63-52)57-59-55(36-17-5-2-6-18-36)58-56(60-57)44-24-14-28-51-53(44)43-23-9-12-27-50(43)62-51/h2*1-36H;1-34H/i2*2D,5D,6D,17D,18D;.
What are the key properties of 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole?
9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole has a molecular weight of 2499.12 g/mol, XLogP of 47.53, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-2-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-8-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163659170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).