9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C174H96N12O10S2 — CID 158232176

IUPAC9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)ccc1c2c2ccc3c4ccccc4oc3c2n1-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncsc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncoc4c3)c12.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncsc4c3)c12.c1ccc2cc3c(cc2c1)c1cc2oc4ccccc4c2cc1n3-c1ccc2ncoc2c1
InChIInChI=1S/4C29H16N2O2.2C29H16N2OS/c1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)33-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)32-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)32-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)33-29;1-2-6-19-17(5-1)9-14-24-27(19)22-12-11-21-20-7-3-4-8-25(20)33-29(21)28(22)31(24)18-10-13-23-26(15-18)32-16-30-23;1-2-6-18-12-25-21(11-17(18)5-1)22-15-28-23(20-7-3-4-8-27(20)33-28)14-26(22)31(25)19-9-10-24-29(13-19)32-16-30-24;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)32-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)33-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)33-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)32-29/h6*1-16H
InChIKeyGEMXDLOIEUWKBR-UHFFFAOYSA-N
MW2578.89 g/mol
LogP48.80
Rot. Bonds6

About 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 158232176) has the molecular formula C174H96N12O10S2 and a molecular weight of 2578.89 g/mol. Its IUPAC name is 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID158232176
Molecular FormulaC174H96N12O10S2
Molecular Weight2578.89 g/mol
Exact Mass2576.68
IUPAC Name9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)ccc1c2c2ccc3c4ccccc4oc3c2n1-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncsc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncoc4c3)c12.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncsc4c3)c12.c1ccc2cc3c(cc2c1)c1cc2oc4ccccc4c2cc1n3-c1ccc2ncoc2c1
InChIInChI=1S/4C29H16N2O2.2C29H16N2OS/c1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)33-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)32-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)32-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)33-29;1-2-6-19-17(5-1)9-14-24-27(19)22-12-11-21-20-7-3-4-8-25(20)33-29(21)28(22)31(24)18-10-13-23-26(15-18)32-16-30-23;1-2-6-18-12-25-21(11-17(18)5-1)22-15-28-23(20-7-3-4-8-27(20)33-28)14-26(22)31(25)19-9-10-24-29(13-19)32-16-30-24;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)32-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)33-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)33-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)32-29/h6*1-16H
InChIKeyGEMXDLOIEUWKBR-UHFFFAOYSA-N
XLogP48.80
TPSA238.32 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002578.89
LogP ≤ 548.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 159840085
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-(4-iodophenyl)-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1-benzofuran-6-yl)-3a-hydroxy-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-5-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-12-(4-iodophenyl)-5,6-dimethyl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 159951998
2-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-4-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-5-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-6-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indol-7-yl]oxyacetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-4-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-6-yl]acetic acid;2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-7-yl]acetic acid
CID 160199368
12-[2-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole
CID 161443960
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CID 161785528
5-[9-(8-Carbazol-9-yldibenzofuran-2-yl)-6-methylcarbazol-3-yl]-1,3-benzoxazole;3-dibenzothiophen-2-yl-6-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole
CID 161961631
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-(4-iodophenyl)-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1-benzofuran-6-yl)-3a-hydroxy-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-5-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-12-(4-iodophenyl)-5,6-dimethyl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
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N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine;2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine;2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine;4,5,7-trideuterio-N-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-2-phenyl-N-(4,5,7-trideuterio-2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 167571784
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-1-ylnaphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-naphthalen-2-ylnaphthalen-2-amine
CID 167572337
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N-[6-[6,7-bis(trifluoromethyl)naphthalen-1-yl]naphthalen-2-yl]-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine;N-[6-[6,7-bis(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine;2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[3-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine
CID 167611326
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-amine;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine;2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-1-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine;2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine
CID 167658420

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 158232176) is 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4oc3c2n1-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncsc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncoc4c3)c12.c1ccc2c(c1)oc1c2c2ccccc2c2c3ccccc3n(-c3ccc4ncsc4c3)c12.c1ccc2cc3c(cc2c1)c1cc2oc4ccccc4c2cc1n3-c1ccc2ncoc2c1.
What is the InChIKey of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is GEMXDLOIEUWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H16N2O2.2C29H16N2OS/c1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)33-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)32-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)32-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)33-29;1-2-6-19-17(5-1)9-14-24-27(19)22-12-11-21-20-7-3-4-8-25(20)33-29(21)28(22)31(24)18-10-13-23-26(15-18)32-16-30-23;1-2-6-18-12-25-21(11-17(18)5-1)22-15-28-23(20-7-3-4-8-27(20)33-28)14-26(22)31(25)19-9-10-24-29(13-19)32-16-30-24;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)32-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)33-16-30-22;1-2-8-19-18(7-1)26-20-9-3-5-11-23(20)31(17-13-14-22-25(15-17)33-16-30-22)28(26)29-27(19)21-10-4-6-12-24(21)32-29/h6*1-16H.
What are the key properties of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2578.89 g/mol, XLogP of 48.80, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-(1,3-benzothiazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-(1,3-benzoxazol-6-yl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(1,3-benzoxazol-6-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;24-(1,3-benzoxazol-6-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 158232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).