2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole

C272H168N40O5 — CID 157333153

IUPAC2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)ccc32)cc1
InChIInChI=1S/C68H42N10O.C58H36N8O.C56H34N10O.C48H30N6O.C42H26N6O/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-57-33-15-13-31-53(57)55-41-49(35-37-59(55)77)67-75-76-68(79-67)50-36-38-60-56(42-50)54-32-14-16-34-58(54)78(60)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46;1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-51-27-15-13-25-43(51)45-33-41(29-31-53(45)65)55-63-64-56(67-55)42-30-32-54-46(34-42)44-26-14-16-28-52(44)66(54)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40;1-5-17-35(18-6-1)49-57-50(36-19-7-2-8-20-36)60-55(59-49)65-45-27-15-13-25-41(45)43-33-39(29-31-47(43)65)53-63-64-54(67-53)40-30-32-48-44(34-40)42-26-14-16-28-46(42)66(48)56-61-51(37-21-9-3-10-22-37)58-52(62-56)38-23-11-4-12-24-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-29-34(25-27-45(39)54)47-52-51-46(55-47)33-24-26-44-38(28-33)36-20-10-12-22-42(36)53(44)35-18-8-3-9-19-35;1-2-11-30(12-3-1)47-36-16-6-4-13-31(36)33-24-27(19-21-38(33)47)41-45-46-42(49-41)28-20-22-39-34(25-28)32-14-5-7-17-37(32)48(39)40-18-8-15-35(44-40)29-10-9-23-43-26-29/h1-42H;1-36H;1-34H;1-30H;1-26H
InChIKeyBFNHGJSXMBXXOR-UHFFFAOYSA-N
MW4076.61 g/mol
LogP64.23
Rot. Bonds37

About 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole

2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 157333153) has the molecular formula C272H168N40O5 and a molecular weight of 4076.61 g/mol. Its IUPAC name is 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID157333153
Molecular FormulaC272H168N40O5
Molecular Weight4076.61 g/mol
Exact Mass4073.41
IUPAC Name2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)ccc32)cc1
InChIInChI=1S/C68H42N10O.C58H36N8O.C56H34N10O.C48H30N6O.C42H26N6O/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-57-33-15-13-31-53(57)55-41-49(35-37-59(55)77)67-75-76-68(79-67)50-36-38-60-56(42-50)54-32-14-16-34-58(54)78(60)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46;1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-51-27-15-13-25-43(51)45-33-41(29-31-53(45)65)55-63-64-56(67-55)42-30-32-54-46(34-42)44-26-14-16-28-52(44)66(54)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40;1-5-17-35(18-6-1)49-57-50(36-19-7-2-8-20-36)60-55(59-49)65-45-27-15-13-25-41(45)43-33-39(29-31-47(43)65)53-63-64-54(67-53)40-30-32-48-44(34-40)42-26-14-16-28-46(42)66(48)56-61-51(37-21-9-3-10-22-37)58-52(62-56)38-23-11-4-12-24-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-29-34(25-27-45(39)54)47-52-51-46(55-47)33-24-26-44-38(28-33)36-20-10-12-22-42(36)53(44)35-18-8-3-9-19-35;1-2-11-30(12-3-1)47-36-16-6-4-13-31(36)33-24-27(19-21-38(33)47)41-45-46-42(49-41)28-20-22-39-34(25-28)32-14-5-7-17-37(32)48(39)40-18-8-15-35(44-40)29-10-9-23-43-26-29/h1-42H;1-36H;1-34H;1-30H;1-26H
InChIKeyBFNHGJSXMBXXOR-UHFFFAOYSA-N
XLogP64.23
TPSA501.70 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds37
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004076.61
LogP ≤ 564.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159053315
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159500266
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159845459
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
CID 160060356
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-[2-(dimethylamino)ethyl]-6-[3-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopentyl-2-methylphenyl)-8-phenyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-6-pyrrolidin-2-yl-3-pyridinyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;hydrofluoride
CID 160676852
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 161493805
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 161874828
8-[6-[8-[8-[6-[8-[8-[6-[8-[8-[6-[8-(8-Pyridin-2-ylpyrido[3,2-b]indol-5-yl)-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099830

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole (CID 157333153) is 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)o5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)ccc32)cc1.
What is the InChIKey of 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is BFNHGJSXMBXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N10O.C58H36N8O.C56H34N10O.C48H30N6O.C42H26N6O/c1-5-19-43(20-6-1)61-69-62(44-21-7-2-8-22-44)72-65(71-61)47-27-17-29-51(39-47)77-57-33-15-13-31-53(57)55-41-49(35-37-59(55)77)67-75-76-68(79-67)50-36-38-60-56(42-50)54-32-14-16-34-58(54)78(60)52-30-18-28-48(40-52)66-73-63(45-23-9-3-10-24-45)70-64(74-66)46-25-11-4-12-26-46;1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)60-57(59-47)65-51-27-15-13-25-43(51)45-33-41(29-31-53(45)65)55-63-64-56(67-55)42-30-32-54-46(34-42)44-26-14-16-28-52(44)66(54)58-61-49(39-21-9-3-10-22-39)36-50(62-58)40-23-11-4-12-24-40;1-5-17-35(18-6-1)49-57-50(36-19-7-2-8-20-36)60-55(59-49)65-45-27-15-13-25-41(45)43-33-39(29-31-47(43)65)53-63-64-54(67-53)40-30-32-48-44(34-40)42-26-14-16-28-46(42)66(48)56-61-51(37-21-9-3-10-22-37)58-52(62-56)38-23-11-4-12-24-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-29-34(25-27-45(39)54)47-52-51-46(55-47)33-24-26-44-38(28-33)36-20-10-12-22-42(36)53(44)35-18-8-3-9-19-35;1-2-11-30(12-3-1)47-36-16-6-4-13-31(36)33-24-27(19-21-38(33)47)41-45-46-42(49-41)28-20-22-39-34(25-28)32-14-5-7-17-37(32)48(39)40-18-8-15-35(44-40)29-10-9-23-43-26-29/h1-42H;1-36H;1-34H;1-30H;1-26H.
What are the key properties of 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole?
2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 4076.61 g/mol, XLogP of 64.23, 37 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 157333153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).