benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole

C316H202N36S8 — CID 158340045

IUPACbenzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc4c3)n2)=C1.C1=c2sc(-c3ccccc3)nc2=C(c2cccc3cccnc23)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4sc(-c5ccccc5)nc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc4scnc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccccc1
InChIInChI=1S/C42H28N4S.3C42H26N4S.C37H23N5S.C37H25N5S.C37H23N5S.C31H19N5S.C6H6/c1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)47-42(43-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)43-42(47-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)36-25-31(26-37-38(36)43-42(47-37)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)35-25-24-34(37-38(35)47-42(43-37)29-18-8-3-9-19-29)36-26-30-20-10-11-21-31(30)32-22-12-13-23-33(32)36;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)30-22-21-29(28-20-10-18-24-19-11-23-38-31(24)28)32-33(30)43-37(39-32)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)43-37(39-33)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)39-37(43-33)27-16-8-3-9-17-27;1-3-9-21(10-4-1)29-34-30(22-11-5-2-6-12-22)36-31(35-29)25-17-23(18-26-28(25)33-19-37-26)24-15-7-13-20-14-8-16-32-27(20)24;1-2-4-6-5-3-1/h1-6,8-16,18-26H,7,17H2;3*1-26H;1-23H;1-21,23,28H,22H2;1-23H;1-19H;1-6H
InChIKeyGRAWXHGSQFHZTF-UHFFFAOYSA-N
MW4759.88 g/mol
LogP79.71
Rot. Bonds39

About benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole

benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole (PubChem CID 158340045) has the molecular formula C316H202N36S8 and a molecular weight of 4759.88 g/mol. Its IUPAC name is benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole.

Molecular Properties

Compound Namebenzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole
PubChem CID158340045
Molecular FormulaC316H202N36S8
Molecular Weight4759.88 g/mol
Exact Mass4755.47
IUPAC Namebenzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc4c3)n2)=C1.C1=c2sc(-c3ccccc3)nc2=C(c2cccc3cccnc23)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4sc(-c5ccccc5)nc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc4scnc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccccc1
InChIInChI=1S/C42H28N4S.3C42H26N4S.C37H23N5S.C37H25N5S.C37H23N5S.C31H19N5S.C6H6/c1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)47-42(43-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)43-42(47-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)36-25-31(26-37-38(36)43-42(47-37)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)35-25-24-34(37-38(35)47-42(43-37)29-18-8-3-9-19-29)36-26-30-20-10-11-21-31(30)32-22-12-13-23-33(32)36;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)30-22-21-29(28-20-10-18-24-19-11-23-38-31(24)28)32-33(30)43-37(39-32)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)43-37(39-33)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)39-37(43-33)27-16-8-3-9-17-27;1-3-9-21(10-4-1)29-34-30(22-11-5-2-6-12-22)36-31(35-29)25-17-23(18-26-28(25)33-19-37-26)24-15-7-13-20-14-8-16-32-27(20)24;1-2-4-6-5-3-1/h1-6,8-16,18-26H,7,17H2;3*1-26H;1-23H;1-21,23,28H,22H2;1-23H;1-19H;1-6H
InChIKeyGRAWXHGSQFHZTF-UHFFFAOYSA-N
XLogP79.71
TPSA464.04 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004759.88
LogP ≤ 579.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole with MolForge

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Related Compounds

20-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 132184366
19-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 146368740
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[3,2-d]pyrimidin-3-ium
CID 157110986
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
2-[3-Benzo[h]isoquinolin-5-yl-5-[3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-pyridin-3-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzothiazole
CID 161244750
CID 161910738
CID 161910738
1-Ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium
CID 162031399
10-Phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenothiazine
CID 20606853
9,10-bis(1,3-benzothiazol-2-yl)-2-N,2-N,7-N,7-N-tetrapyridin-2-ylanthracene-2,7-diamine
CID 57909583
4-[3-[4,6-Bis[3-[8-[8-(3-pyrimidin-4-yl-2-pyridinyl)pyrido[4,3-b]indol-5-yl]dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-12-(3-pyrimidin-4-yl-2-pyridinyl)-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099619
8-[6-[6-[5-[2,3,7-Trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099641
3-[3-(1,3,5-Triazin-2-yl)pyrazin-2-yl]-9-[8-[4-[6-[4-[8-[3-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]carbazol-9-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-2-[4-[8-[3-(1,3,5-triazin-2-yl)pyrazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 58099746

Frequently Asked Questions

What is the IUPAC name of benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole?
The IUPAC name of benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole (CID 158340045) is benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole.
What is the SMILES notation for benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole?
The canonical SMILES for benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole is C1=CCCC(c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc4c3)n2)=C1.C1=c2sc(-c3ccccc3)nc2=C(c2cccc3cccnc23)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4sc(-c5ccccc5)nc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)c4sc(-c5ccccc5)nc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc4scnc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)c4nc(-c5ccccc5)sc34)n2)cc1.c1ccccc1.
What is the InChIKey of benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole?
The InChIKey is GRAWXHGSQFHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4S.3C42H26N4S.C37H23N5S.C37H25N5S.C37H23N5S.C31H19N5S.C6H6/c1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)47-42(43-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)31-25-36(38-37(26-31)43-42(47-38)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)36-25-31(26-37-38(36)43-42(47-37)29-18-8-3-9-19-29)35-24-30-20-10-11-21-32(30)33-22-12-13-23-34(33)35;1-4-14-27(15-5-1)39-44-40(28-16-6-2-7-17-28)46-41(45-39)35-25-24-34(37-38(35)47-42(43-37)29-18-8-3-9-19-29)36-26-30-20-10-11-21-31(30)32-22-12-13-23-33(32)36;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)30-22-21-29(28-20-10-18-24-19-11-23-38-31(24)28)32-33(30)43-37(39-32)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)43-37(39-33)27-16-8-3-9-17-27;1-4-12-25(13-5-1)34-40-35(26-14-6-2-7-15-26)42-36(41-34)28-22-30(29-20-10-18-24-19-11-21-38-32(24)29)33-31(23-28)39-37(43-33)27-16-8-3-9-17-27;1-3-9-21(10-4-1)29-34-30(22-11-5-2-6-12-22)36-31(35-29)25-17-23(18-26-28(25)33-19-37-26)24-15-7-13-20-14-8-16-32-27(20)24;1-2-4-6-5-3-1/h1-6,8-16,18-26H,7,17H2;3*1-26H;1-23H;1-21,23,28H,22H2;1-23H;1-19H;1-6H.
What are the key properties of benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole?
benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole has a molecular weight of 4759.88 g/mol, XLogP of 79.71, 39 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenanthren-9-yl-2-phenyl-1,3-benzothiazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-7-quinolin-8-yl-1,3-benzothiazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-1,3-benzothiazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-quinolin-8-yl-5,6-dihydro-1,3-benzothiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-quinolin-8-yl-1,3-benzothiazole is sourced from PubChem (CID 158340045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).