7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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

C279H170N18S6 — CID 159245272

IUPAC7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)cc1
InChIInChI=1S/2C56H35N3S.C53H33N3S.C42H25N3S.2C36H21N3S/c1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-39(29-32-42)49-35-48(38-20-9-3-10-21-38)57-56(58-49)40-22-11-4-12-23-40;1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-40(29-32-42)56-57-48(38-20-9-3-10-21-38)35-49(58-56)39-22-11-4-12-23-39;1-4-15-34(16-5-1)37-29-32-46-44(33-37)48-41-21-10-11-22-42(41)52-49(43-24-14-23-40(51(43)57-52)35-17-6-2-7-18-35)50(48)55(46)39-30-27-36(28-31-39)53-54-45-25-12-13-26-47(45)56(53)38-19-8-3-9-20-38;1-2-12-26(13-3-1)27-22-24-28(25-23-27)39-31-16-6-9-19-34(31)43-42(44-39)45-35-20-10-7-17-32(35)37-29-14-4-5-15-30(29)41-38(40(37)45)33-18-8-11-21-36(33)46-41;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)35-32(34(31)39)27-18-8-11-21-30(27)40-35/h2*1-35H;1-33H;1-25H;2*1-21H/i;;;;1D,2D,3D,12D,13D;
InChIKeyKUPGXVOTAHHHDY-UDFSMDJESA-N
MW3971.99 g/mol
LogP76.92
Rot. Bonds24

About 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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

7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 (PubChem CID 159245272) has the molecular formula C279H170N18S6 and a molecular weight of 3971.99 g/mol. Its IUPAC name is 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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.

Molecular Properties

Compound Name7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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
PubChem CID159245272
Molecular FormulaC279H170N18S6
Molecular Weight3971.99 g/mol
Exact Mass3968.25
IUPAC Name7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)cc1
InChIInChI=1S/2C56H35N3S.C53H33N3S.C42H25N3S.2C36H21N3S/c1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-39(29-32-42)49-35-48(38-20-9-3-10-21-38)57-56(58-49)40-22-11-4-12-23-40;1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-40(29-32-42)56-57-48(38-20-9-3-10-21-38)35-49(58-56)39-22-11-4-12-23-39;1-4-15-34(16-5-1)37-29-32-46-44(33-37)48-41-21-10-11-22-42(41)52-49(43-24-14-23-40(51(43)57-52)35-17-6-2-7-18-35)50(48)55(46)39-30-27-36(28-31-39)53-54-45-25-12-13-26-47(45)56(53)38-19-8-3-9-20-38;1-2-12-26(13-3-1)27-22-24-28(25-23-27)39-31-16-6-9-19-34(31)43-42(44-39)45-35-20-10-7-17-32(35)37-29-14-4-5-15-30(29)41-38(40(37)45)33-18-8-11-21-36(33)46-41;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)35-32(34(31)39)27-18-8-11-21-30(27)40-35/h2*1-35H;1-33H;1-25H;2*1-21H/i;;;;1D,2D,3D,12D,13D;
InChIKeyKUPGXVOTAHHHDY-UDFSMDJESA-N
XLogP76.92
TPSA176.30 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003971.99
LogP ≤ 576.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 with MolForge

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Related Compounds

28-[2-[10-(3,5-Difluorophenyl)-9,9-dimethylacridin-3-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137421723
5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[4-[3-[(2Z,4E)-5-[4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 138554854
12-Fluoro-7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)quinoxalin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 146555075
3-[1-[4-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155233312
2,7-Bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 157102012
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158339769
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158388094
9-[4-Dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-methyl-4-(trifluoromethyl)phenyl]carbazole
CID 158520712
9-[4-Dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158566420
5-[4-(2,6-Diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 158577596
9-[4-Dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 158644262
2-[3,5-Bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 158731428

Frequently Asked Questions

What is the IUPAC name of 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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?
The IUPAC name of 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 (CID 159245272) is 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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.
What is the SMILES notation for 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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?
The canonical SMILES for 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 is [2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4c4sc5c(-c6ccccc6)cccc5c4c2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5sc6ccccc6c5c43)nc3ccccc23)cc1.
What is the InChIKey of 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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?
The InChIKey is KUPGXVOTAHHHDY-UDFSMDJESA-N. The full InChI is InChI=1S/2C56H35N3S.C53H33N3S.C42H25N3S.2C36H21N3S/c1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-39(29-32-42)49-35-48(38-20-9-3-10-21-38)57-56(58-49)40-22-11-4-12-23-40;1-5-16-36(17-6-1)41-30-33-50-47(34-41)51-44-24-13-14-25-45(44)55-52(46-27-15-26-43(54(46)60-55)37-18-7-2-8-19-37)53(51)59(50)42-31-28-40(29-32-42)56-57-48(38-20-9-3-10-21-38)35-49(58-56)39-22-11-4-12-23-39;1-4-15-34(16-5-1)37-29-32-46-44(33-37)48-41-21-10-11-22-42(41)52-49(43-24-14-23-40(51(43)57-52)35-17-6-2-7-18-35)50(48)55(46)39-30-27-36(28-31-39)53-54-45-25-12-13-26-47(45)56(53)38-19-8-3-9-20-38;1-2-12-26(13-3-1)27-22-24-28(25-23-27)39-31-16-6-9-19-34(31)43-42(44-39)45-35-20-10-7-17-32(35)37-29-14-4-5-15-30(29)41-38(40(37)45)33-18-8-11-21-36(33)46-41;2*1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)35-32(34(31)39)27-18-8-11-21-30(27)40-35/h2*1-35H;1-33H;1-25H;2*1-21H/i;;;;1D,2D,3D,12D,13D;.
What are the key properties of 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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?
7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 has a molecular weight of 3971.99 g/mol, XLogP of 76.92, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7,20-diphenyl-24-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,20-diphenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene;24-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]-9-thia-24-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-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-24-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-(4-phenylquinazolin-2-yl)-9-thia-24-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 is sourced from PubChem (CID 159245272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).