3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole

C346H223N33OS8 — CID 157093885

IUPAC3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC/C=C/c1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.CC(C)(C)c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7cccc8ccccc78)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccn7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/2C49H30N4S.C44H27N5S.C43H32N4S.C42H28N4S.C40H26N4OS.C40H26N4S.C39H24N4S/c1-4-13-31(14-5-1)35-24-28-44-42(29-35)40-26-25-39-41-30-36(38-22-12-20-32-15-10-11-21-37(32)38)23-27-43(41)53(45(39)46(40)54-44)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-23-27-44-42(30-37)40-25-24-39-41-29-38(36-21-20-32-14-10-11-19-35(32)28-36)22-26-43(41)53(45(39)46(40)54-44)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-4-12-28(13-5-1)31-20-24-39-36(26-31)34-22-21-33-35-27-32(37-18-10-11-25-45-37)19-23-38(35)49(40(33)41(34)50-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30;1-43(2,3)31-20-23-36-34(26-31)32-21-22-33-35-25-30(27-13-7-4-8-14-27)19-24-37(35)48-39(33)38(32)47(36)42-45-40(28-15-9-5-10-16-28)44-41(46-42)29-17-11-6-12-18-29;1-2-12-27-19-24-37-35(25-27)33-22-21-32-34-26-31(28-13-6-3-7-14-28)20-23-36(34)46(38(32)39(33)47-37)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27;1-25-17-22-35-33(23-25)31-20-19-30-32-24-29(26-11-5-2-6-12-26)18-21-34(32)44(36(30)37(31)45-35)40-42-38(27-13-7-3-8-14-27)41-39(43-40)28-15-9-4-10-16-28;1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h2*1-30H;1-27H;4-26H,1-3H3;2-26H,1H3;2-24H,1H3;2-24H,1H3;1-24H/b;;;;12-2+;;;/i;;;;;;;10D,11D,18D,19D
InChIKeyAEZBXGYAFOBSNG-NYSGATTFSA-N
MW5119.38 g/mol
LogP92.05
Rot. Bonds37

About 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole

3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 157093885) has the molecular formula C346H223N33OS8 and a molecular weight of 5119.38 g/mol. Its IUPAC name is 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID157093885
Molecular FormulaC346H223N33OS8
Molecular Weight5119.38 g/mol
Exact Mass5114.64
IUPAC Name3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC/C=C/c1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.CC(C)(C)c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7cccc8ccccc78)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccn7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/2C49H30N4S.C44H27N5S.C43H32N4S.C42H28N4S.C40H26N4OS.C40H26N4S.C39H24N4S/c1-4-13-31(14-5-1)35-24-28-44-42(29-35)40-26-25-39-41-30-36(38-22-12-20-32-15-10-11-21-37(32)38)23-27-43(41)53(45(39)46(40)54-44)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-23-27-44-42(30-37)40-25-24-39-41-29-38(36-21-20-32-14-10-11-19-35(32)28-36)22-26-43(41)53(45(39)46(40)54-44)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-4-12-28(13-5-1)31-20-24-39-36(26-31)34-22-21-33-35-27-32(37-18-10-11-25-45-37)19-23-38(35)49(40(33)41(34)50-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30;1-43(2,3)31-20-23-36-34(26-31)32-21-22-33-35-25-30(27-13-7-4-8-14-27)19-24-37(35)48-39(33)38(32)47(36)42-45-40(28-15-9-5-10-16-28)44-41(46-42)29-17-11-6-12-18-29;1-2-12-27-19-24-37-35(25-27)33-22-21-32-34-26-31(28-13-6-3-7-14-28)20-23-36(34)46(38(32)39(33)47-37)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27;1-25-17-22-35-33(23-25)31-20-19-30-32-24-29(26-11-5-2-6-12-26)18-21-34(32)44(36(30)37(31)45-35)40-42-38(27-13-7-3-8-14-27)41-39(43-40)28-15-9-4-10-16-28;1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h2*1-30H;1-27H;4-26H,1-3H3;2-26H,1H3;2-24H,1H3;2-24H,1H3;1-24H/b;;;;12-2+;;;/i;;;;;;;10D,11D,18D,19D
InChIKeyAEZBXGYAFOBSNG-NYSGATTFSA-N
XLogP92.05
TPSA370.92 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms388
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005119.38
LogP ≤ 592.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 157093885) is 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole is C/C=C/c1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.CC(C)(C)c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2sc3c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7cccc8ccccc78)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccn7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.
What is the InChIKey of 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is AEZBXGYAFOBSNG-NYSGATTFSA-N. The full InChI is InChI=1S/2C49H30N4S.C44H27N5S.C43H32N4S.C42H28N4S.C40H26N4OS.C40H26N4S.C39H24N4S/c1-4-13-31(14-5-1)35-24-28-44-42(29-35)40-26-25-39-41-30-36(38-22-12-20-32-15-10-11-21-37(32)38)23-27-43(41)53(45(39)46(40)54-44)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-23-27-44-42(30-37)40-25-24-39-41-29-38(36-21-20-32-14-10-11-19-35(32)28-36)22-26-43(41)53(45(39)46(40)54-44)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-4-12-28(13-5-1)31-20-24-39-36(26-31)34-22-21-33-35-27-32(37-18-10-11-25-45-37)19-23-38(35)49(40(33)41(34)50-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30;1-43(2,3)31-20-23-36-34(26-31)32-21-22-33-35-25-30(27-13-7-4-8-14-27)19-24-37(35)48-39(33)38(32)47(36)42-45-40(28-15-9-5-10-16-28)44-41(46-42)29-17-11-6-12-18-29;1-2-12-27-19-24-37-35(25-27)33-22-21-32-34-26-31(28-13-6-3-7-14-28)20-23-36(34)46(38(32)39(33)47-37)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27;1-25-17-22-35-33(23-25)31-20-19-30-32-24-29(26-11-5-2-6-12-26)18-21-34(32)44(36(30)37(31)45-35)40-42-38(27-13-7-3-8-14-27)41-39(43-40)28-15-9-4-10-16-28;1-4-12-25(13-5-1)28-20-23-34-32(24-28)31-22-21-30-29-18-10-11-19-33(29)43(35(30)36(31)44-34)39-41-37(26-14-6-2-7-15-26)40-38(42-39)27-16-8-3-9-17-27/h2*1-30H;1-27H;4-26H,1-3H3;2-26H,1H3;2-24H,1H3;2-24H,1H3;1-24H/b;;;;12-2+;;;/i;;;;;;;10D,11D,18D,19D.
What are the key properties of 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole?
3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 5119.38 g/mol, XLogP of 92.05, 37 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-2-yl-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-8-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazole;1,2,3,4-tetradeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 157093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).