2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

C283H178N38O16S13 — CID 158461857

IUPAC2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-n2cnc(-c3ccc4c(c3)c3cc(-c5cc(-n6c7ccc(-c8ccoc8-c8ncn(-c9ccccc9)n8)cc7c7cc(-c8ccoc8-c8ncn(-c9ccccc9)n8)ccc76)cc(-n6c7ncncc7c7cncnc76)c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc2sc(-c3nc(-c4cc(-c5coc(-c6cc7ccccc7s6)n5)c5sc6c(-c7coc(-c8cc9ccccc9s8)n7)cc(-c7cc8cc9sc(-c%10cc(-c%11coc(-c%12cc%13ccccc%13s%12)n%11)c%11sc%12c(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc%12c%11c%10)cc9cc8s7)cc6c5c4)co3)cc2c1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1
InChIInChI=1S/C100H48N6O6S10.C76H46N16O2.C61H58N6O8.C46H26N10S3/c1-7-19-75-49(13-1)33-85(113-75)95-101-69(43-107-95)55-25-61-63-29-57(31-67(73-47-111-99(105-73)89-37-53-17-5-11-23-79(53)117-89)93(63)121-91(61)65(27-55)71-45-109-97(103-71)87-35-51-15-3-9-21-77(51)115-87)81-39-59-41-84-60(42-83(59)119-81)40-82(120-84)58-30-64-62-26-56(70-44-108-96(102-70)86-34-50-14-2-8-20-76(50)114-86)28-66(72-46-110-98(104-72)88-36-52-16-4-10-22-78(52)116-88)92(62)122-94(64)68(32-58)74-48-112-100(106-74)90-38-54-18-6-12-24-80(54)118-90;1-5-13-52(14-6-1)87-44-81-72(84-87)50-24-28-67-63(38-50)60-35-47(21-25-66(60)90(67)55-19-11-4-12-20-55)51-33-56(39-57(34-51)92-75-64(40-77-42-79-75)65-41-78-43-80-76(65)92)91-68-26-22-48(58-29-31-93-70(58)73-82-45-88(85-73)53-15-7-2-8-16-53)36-61(68)62-37-49(23-27-69(62)91)59-30-32-94-71(59)74-83-46-89(86-74)54-17-9-3-10-18-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-48H;1-46H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50)
InChIKeyHFGUDULLZRKTOJ-UHFFFAOYSA-N
MW4783.66 g/mol
LogP77.22
Rot. Bonds48

About 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (PubChem CID 158461857) has the molecular formula C283H178N38O16S13 and a molecular weight of 4783.66 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
PubChem CID158461857
Molecular FormulaC283H178N38O16S13
Molecular Weight4783.66 g/mol
Exact Mass4779.07
IUPAC Name2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-n2cnc(-c3ccc4c(c3)c3cc(-c5cc(-n6c7ccc(-c8ccoc8-c8ncn(-c9ccccc9)n8)cc7c7cc(-c8ccoc8-c8ncn(-c9ccccc9)n8)ccc76)cc(-n6c7ncncc7c7cncnc76)c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc2sc(-c3nc(-c4cc(-c5coc(-c6cc7ccccc7s6)n5)c5sc6c(-c7coc(-c8cc9ccccc9s8)n7)cc(-c7cc8cc9sc(-c%10cc(-c%11coc(-c%12cc%13ccccc%13s%12)n%11)c%11sc%12c(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc%12c%11c%10)cc9cc8s7)cc6c5c4)co3)cc2c1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1
InChIInChI=1S/C100H48N6O6S10.C76H46N16O2.C61H58N6O8.C46H26N10S3/c1-7-19-75-49(13-1)33-85(113-75)95-101-69(43-107-95)55-25-61-63-29-57(31-67(73-47-111-99(105-73)89-37-53-17-5-11-23-79(53)117-89)93(63)121-91(61)65(27-55)71-45-109-97(103-71)87-35-51-15-3-9-21-77(51)115-87)81-39-59-41-84-60(42-83(59)119-81)40-82(120-84)58-30-64-62-26-56(70-44-108-96(102-70)86-34-50-14-2-8-20-76(50)114-86)28-66(72-46-110-98(104-72)88-36-52-16-4-10-22-78(52)116-88)92(62)122-94(64)68(32-58)74-48-112-100(106-74)90-38-54-18-6-12-24-80(54)118-90;1-5-13-52(14-6-1)87-44-81-72(84-87)50-24-28-67-63(38-50)60-35-47(21-25-66(60)90(67)55-19-11-4-12-20-55)51-33-56(39-57(34-51)92-75-64(40-77-42-79-75)65-41-78-43-80-76(65)92)91-68-26-22-48(58-29-31-93-70(58)73-82-45-88(85-73)53-15-7-2-8-16-53)36-61(68)62-37-49(23-27-69(62)91)59-30-32-94-71(59)74-83-46-89(86-74)54-17-9-3-10-18-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-48H;1-46H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50)
InChIKeyHFGUDULLZRKTOJ-UHFFFAOYSA-N
XLogP77.22
TPSA594.70 Ų
H-Bond Donors2
H-Bond Acceptors65
Rotatable Bonds48
Heavy Atoms350
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004783.66
LogP ≤ 577.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1065

Analyze 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (CID 158461857) is 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is CCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-n2cnc(-c3ccc4c(c3)c3cc(-c5cc(-n6c7ccc(-c8ccoc8-c8ncn(-c9ccccc9)n8)cc7c7cc(-c8ccoc8-c8ncn(-c9ccccc9)n8)ccc76)cc(-n6c7ncncc7c7cncnc76)c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc2sc(-c3nc(-c4cc(-c5coc(-c6cc7ccccc7s6)n5)c5sc6c(-c7coc(-c8cc9ccccc9s8)n7)cc(-c7cc8cc9sc(-c%10cc(-c%11coc(-c%12cc%13ccccc%13s%12)n%11)c%11sc%12c(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc(-c%13coc(-c%14cc%15ccccc%15s%14)n%13)cc%12c%11c%10)cc9cc8s7)cc6c5c4)co3)cc2c1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The InChIKey is HFGUDULLZRKTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H48N6O6S10.C76H46N16O2.C61H58N6O8.C46H26N10S3/c1-7-19-75-49(13-1)33-85(113-75)95-101-69(43-107-95)55-25-61-63-29-57(31-67(73-47-111-99(105-73)89-37-53-17-5-11-23-79(53)117-89)93(63)121-91(61)65(27-55)71-45-109-97(103-71)87-35-51-15-3-9-21-77(51)115-87)81-39-59-41-84-60(42-83(59)119-81)40-82(120-84)58-30-64-62-26-56(70-44-108-96(102-70)86-34-50-14-2-8-20-76(50)114-86)28-66(72-46-110-98(104-72)88-36-52-16-4-10-22-78(52)116-88)92(62)122-94(64)68(32-58)74-48-112-100(106-74)90-38-54-18-6-12-24-80(54)118-90;1-5-13-52(14-6-1)87-44-81-72(84-87)50-24-28-67-63(38-50)60-35-47(21-25-66(60)90(67)55-19-11-4-12-20-55)51-33-56(39-57(34-51)92-75-64(40-77-42-79-75)65-41-78-43-80-76(65)92)91-68-26-22-48(58-29-31-93-70(58)73-82-45-88(85-73)53-15-7-2-8-16-53)36-61(68)62-37-49(23-27-69(62)91)59-30-32-94-71(59)74-83-46-89(86-74)54-17-9-3-10-18-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-48H;1-46H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50).
What are the key properties of 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole has a molecular weight of 4783.66 g/mol, XLogP of 77.22, 48 rotatable bonds, 2 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is sourced from PubChem (CID 158461857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).