2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine

C358H224N38O14S4 — CID 158063447

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.c1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)nc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ncnc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)n3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1
InChIInChI=1S/C53H36N4O2.2C47H32N4O2.C44H26N6S2.2C44H26N4O3.C42H24N8S2.C37H22N4O2/c1-53(2)41-16-6-10-20-47(41)57(48-21-11-7-17-42(48)53)38-29-36(33-14-4-3-5-15-33)28-37(32-38)56-45-26-24-34(51-54-43-18-8-12-22-49(43)58-51)30-39(45)40-31-35(25-27-46(40)56)52-55-44-19-9-13-23-50(44)59-52;1-47(2)35-14-3-7-18-41(35)51(42-19-8-4-15-36(42)47)32-13-11-12-31(28-32)50-39-24-22-29(45-48-37-16-5-9-20-43(37)52-45)26-33(39)34-27-30(23-25-40(34)50)46-49-38-17-6-10-21-44(38)53-46;1-47(2)35-11-3-7-15-41(35)51(42-16-8-4-12-36(42)47)32-23-21-31(22-24-32)50-39-25-19-29(45-48-37-13-5-9-17-43(37)52-45)27-33(39)34-28-30(20-26-40(34)50)46-49-38-14-6-10-18-44(38)53-46;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44;1-5-16-39-33(12-1)45-43(50-39)27-20-22-35-31(24-27)32-25-28(44-46-34-13-2-6-17-40(34)51-44)21-23-36(32)47(35)29-10-9-11-30(26-29)48-37-14-3-7-18-41(37)49-42-19-8-4-15-38(42)48;1-5-13-39-33(9-1)45-43(50-39)27-17-23-35-31(25-27)32-26-28(44-46-34-10-2-6-14-40(34)51-44)18-24-36(32)47(35)29-19-21-30(22-20-29)48-37-11-3-7-15-41(37)49-42-16-8-4-12-38(42)48;1-2-10-27(11-3-1)49-35-15-7-4-12-30(35)45-39(49)38-43-24-44-42(48-38)50-33-20-18-25(40-46-31-13-5-8-16-36(31)51-40)22-28(33)29-23-26(19-21-34(29)50)41-47-32-14-6-9-17-37(32)52-41;1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29/h3-32H,1-2H3;2*3-28H,1-2H3;1-26H;2*1-26H;1-24H;1-22H
InChIKeyFKXXZECTIFTDEX-UHFFFAOYSA-N
MW5410.25 g/mol
LogP94.87
Rot. Bonds35

About 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine

2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine (PubChem CID 158063447) has the molecular formula C358H224N38O14S4 and a molecular weight of 5410.25 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine
PubChem CID158063447
Molecular FormulaC358H224N38O14S4
Molecular Weight5410.25 g/mol
Exact Mass5405.69
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.c1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)nc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ncnc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)n3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1
InChIInChI=1S/C53H36N4O2.2C47H32N4O2.C44H26N6S2.2C44H26N4O3.C42H24N8S2.C37H22N4O2/c1-53(2)41-16-6-10-20-47(41)57(48-21-11-7-17-42(48)53)38-29-36(33-14-4-3-5-15-33)28-37(32-38)56-45-26-24-34(51-54-43-18-8-12-22-49(43)58-51)30-39(45)40-31-35(25-27-46(40)56)52-55-44-19-9-13-23-50(44)59-52;1-47(2)35-14-3-7-18-41(35)51(42-19-8-4-15-36(42)47)32-13-11-12-31(28-32)50-39-24-22-29(45-48-37-16-5-9-20-43(37)52-45)26-33(39)34-27-30(23-25-40(34)50)46-49-38-17-6-10-21-44(38)53-46;1-47(2)35-11-3-7-15-41(35)51(42-16-8-4-12-36(42)47)32-23-21-31(22-24-32)50-39-25-19-29(45-48-37-13-5-9-17-43(37)52-45)27-33(39)34-28-30(20-26-40(34)50)46-49-38-14-6-10-18-44(38)53-46;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44;1-5-16-39-33(12-1)45-43(50-39)27-20-22-35-31(24-27)32-25-28(44-46-34-13-2-6-17-40(34)51-44)21-23-36(32)47(35)29-10-9-11-30(26-29)48-37-14-3-7-18-41(37)49-42-19-8-4-15-38(42)48;1-5-13-39-33(9-1)45-43(50-39)27-17-23-35-31(25-27)32-26-28(44-46-34-10-2-6-14-40(34)51-44)18-24-36(32)47(35)29-19-21-30(22-20-29)48-37-11-3-7-15-41(37)49-42-16-8-4-12-38(42)48;1-2-10-27(11-3-1)49-35-15-7-4-12-30(35)45-39(49)38-43-24-44-42(48-38)50-33-20-18-25(40-46-31-13-5-8-16-36(31)51-40)22-28(33)29-23-26(19-21-34(29)50)41-47-32-14-6-9-17-37(32)52-41;1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29/h3-32H,1-2H3;2*3-28H,1-2H3;1-26H;2*1-26H;1-24H;1-22H
InChIKeyFKXXZECTIFTDEX-UHFFFAOYSA-N
XLogP94.87
TPSA538.11 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds35
Heavy Atoms414
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005410.25
LogP ≤ 594.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine with MolForge

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Related Compounds

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2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
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CID 158466648
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
6-[2-(Benzimidazol-1-yl)ethyl]-5-phenylindolo[2,3-b]indole;9-[8-(2-dibenzofuran-2-ylethyl)dibenzofuran-4-yl]carbazole-3-carbonitrile;9,9-dimethyl-10-[2-[3-(2,2,3,3-tetrafluoropropyl)carbazol-9-yl]ethyl]acridine;3-[5-[2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl)ethyl]-3-pyridinyl]benzonitrile;2-[2-(5-phenylindolo[2,3-b]carbazol-7-yl)ethyl]-1,3-benzothiazole;9-phenyl-14-[2-(1-phenylbenzimidazol-2-yl)ethyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-phenyl-6-(2-pyrimidin-5-ylethyl)indolo[2,3-b]indole;12-phenyl-5-(pyrimidin-5-yloxymethyl)indolo[3,2-c]carbazole
CID 159195948
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
CID 159625514
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine (CID 158063447) is 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)c2ccccc21.c1cc(N2c3ccccc3Oc3ccccc32)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.c1ccc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)nc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ncnc(-n4c5ccc(-c6nc7ccccc7s6)cc5c5cc(-c6nc7ccccc7s6)ccc54)n3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine?
The InChIKey is FKXXZECTIFTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O2.2C47H32N4O2.C44H26N6S2.2C44H26N4O3.C42H24N8S2.C37H22N4O2/c1-53(2)41-16-6-10-20-47(41)57(48-21-11-7-17-42(48)53)38-29-36(33-14-4-3-5-15-33)28-37(32-38)56-45-26-24-34(51-54-43-18-8-12-22-49(43)58-51)30-39(45)40-31-35(25-27-46(40)56)52-55-44-19-9-13-23-50(44)59-52;1-47(2)35-14-3-7-18-41(35)51(42-19-8-4-15-36(42)47)32-13-11-12-31(28-32)50-39-24-22-29(45-48-37-16-5-9-20-43(37)52-45)26-33(39)34-27-30(23-25-40(34)50)46-49-38-17-6-10-21-44(38)53-46;1-47(2)35-11-3-7-15-41(35)51(42-16-8-4-12-36(42)47)32-23-21-31(22-24-32)50-39-25-19-29(45-48-37-13-5-9-17-43(37)52-45)27-33(39)34-28-30(20-26-40(34)50)46-49-38-14-6-10-18-44(38)53-46;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44;1-5-16-39-33(12-1)45-43(50-39)27-20-22-35-31(24-27)32-25-28(44-46-34-13-2-6-17-40(34)51-44)21-23-36(32)47(35)29-10-9-11-30(26-29)48-37-14-3-7-18-41(37)49-42-19-8-4-15-38(42)48;1-5-13-39-33(9-1)45-43(50-39)27-17-23-35-31(25-27)32-26-28(44-46-34-10-2-6-14-40(34)51-44)18-24-36(32)47(35)29-19-21-30(22-20-29)48-37-11-3-7-15-41(37)49-42-16-8-4-12-38(42)48;1-2-10-27(11-3-1)49-35-15-7-4-12-30(35)45-39(49)38-43-24-44-42(48-38)50-33-20-18-25(40-46-31-13-5-8-16-36(31)51-40)22-28(33)29-23-26(19-21-34(29)50)41-47-32-14-6-9-17-37(32)52-41;1-3-10-34-30(8-1)39-36(42-34)24-14-18-32-27(21-24)28-22-25(37-40-31-9-2-4-11-35(31)43-37)15-19-33(28)41(32)26-16-12-23(13-17-26)29-7-5-6-20-38-29/h3-32H,1-2H3;2*3-28H,1-2H3;1-26H;2*1-26H;1-24H;1-22H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine?
2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine has a molecular weight of 5410.25 g/mol, XLogP of 94.87, 35 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylacridin-10-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;10-[3-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine;10-[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]phenyl]phenoxazine is sourced from PubChem (CID 158063447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).