2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine

C318H204N42O7 — CID 159416162

IUPAC2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
SMILESC=C/C=C\c1cn(-c2cccnc2)c2cccc(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccnc4)o3)c12.C=Cc1c(C(=C)c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C(/C=C\C=C\n1c2ccccc2c2c(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccc(-c5cccnc5)n4)o3)cccc21)c1cccnc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)n6)o5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nnc(-c5cccc6c5c5ccccc5n6-c5ccccc5)o4)cccc32)cc1
InChIInChI=1S/C53H35N7O.C50H32N4O.C48H30N6O.C47H29N7O.C46H30N8O.C38H24N4O.C36H24N6O/c1-3-44-48(34(2)52-57-58-53(61-52)38-30-31-47-43(33-38)41-26-13-15-28-45(41)59(47)39-23-11-6-12-24-39)42-27-14-16-29-46(42)60(44)40-25-17-22-37(32-40)51-55-49(35-18-7-4-8-19-35)54-50(56-51)36-20-9-5-10-21-36;1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-43-27-9-7-23-39(43)47-41(25-13-29-45(47)53)49-51-52-50(55-49)42-26-14-30-46-48(42)40-24-8-10-28-44(40)54(46)38-22-12-20-36(32-38)34-17-5-2-6-18-34;1-3-15-31(16-4-1)37-23-13-29-43(49-37)53-39-25-9-7-19-33(39)45-35(21-11-27-41(45)53)47-51-52-48(55-47)36-22-12-28-42-46(36)34-20-8-10-26-40(34)54(42)44-30-14-24-38(50-44)32-17-5-2-6-18-32;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-35(39)42-36(23-14-26-41(42)54)46-52-51-45(55-46)32-27-28-40-37(29-32)34-21-10-12-24-38(34)53(40)33-19-8-3-9-20-33;47-36(30-12-10-25-48-28-30)18-5-6-27-53-38-20-3-1-14-32(38)43-34(16-7-22-40(43)53)45-51-52-46(55-45)35-17-8-23-41-44(35)33-15-2-4-21-39(33)54(41)42-24-9-19-37(50-42)31-13-11-26-49-29-31;1-3-13-25(14-4-1)41-31-21-9-7-17-27(31)35-29(19-11-23-33(35)41)37-39-40-38(43-37)30-20-12-24-34-36(30)28-18-8-10-22-32(28)42(34)26-15-5-2-6-16-26;1-2-3-10-24-23-41(25-11-8-19-37-21-25)31-17-6-14-28(33(24)31)35-39-40-36(43-35)29-15-7-18-32-34(29)27-13-4-5-16-30(27)42(32)26-12-9-20-38-22-26/h3-33H,1-2H2;1-32H;1-30H;1-29H;1-29,47H;1-24H;2-23H,1H2/b;;;;18-5-,27-6+,47-36-;;10-3-
InChIKeyLPENMXHBECYHBQ-PQTFUHIISA-N
MW4725.42 g/mol
LogP77.03
Rot. Bonds45

About 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine

2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine (PubChem CID 159416162) has the molecular formula C318H204N42O7 and a molecular weight of 4725.42 g/mol. Its IUPAC name is 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
PubChem CID159416162
Molecular FormulaC318H204N42O7
Molecular Weight4725.42 g/mol
Exact Mass4721.69
IUPAC Name2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine
SMILESC=C/C=C\c1cn(-c2cccnc2)c2cccc(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccnc4)o3)c12.C=Cc1c(C(=C)c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C(/C=C\C=C\n1c2ccccc2c2c(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccc(-c5cccnc5)n4)o3)cccc21)c1cccnc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)n6)o5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nnc(-c5cccc6c5c5ccccc5n6-c5ccccc5)o4)cccc32)cc1
InChIInChI=1S/C53H35N7O.C50H32N4O.C48H30N6O.C47H29N7O.C46H30N8O.C38H24N4O.C36H24N6O/c1-3-44-48(34(2)52-57-58-53(61-52)38-30-31-47-43(33-38)41-26-13-15-28-45(41)59(47)39-23-11-6-12-24-39)42-27-14-16-29-46(42)60(44)40-25-17-22-37(32-40)51-55-49(35-18-7-4-8-19-35)54-50(56-51)36-20-9-5-10-21-36;1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-43-27-9-7-23-39(43)47-41(25-13-29-45(47)53)49-51-52-50(55-49)42-26-14-30-46-48(42)40-24-8-10-28-44(40)54(46)38-22-12-20-36(32-38)34-17-5-2-6-18-34;1-3-15-31(16-4-1)37-23-13-29-43(49-37)53-39-25-9-7-19-33(39)45-35(21-11-27-41(45)53)47-51-52-48(55-47)36-22-12-28-42-46(36)34-20-8-10-26-40(34)54(42)44-30-14-24-38(50-44)32-17-5-2-6-18-32;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-35(39)42-36(23-14-26-41(42)54)46-52-51-45(55-46)32-27-28-40-37(29-32)34-21-10-12-24-38(34)53(40)33-19-8-3-9-20-33;47-36(30-12-10-25-48-28-30)18-5-6-27-53-38-20-3-1-14-32(38)43-34(16-7-22-40(43)53)45-51-52-46(55-45)35-17-8-23-41-44(35)33-15-2-4-21-39(33)54(41)42-24-9-19-37(50-42)31-13-11-26-49-29-31;1-3-13-25(14-4-1)41-31-21-9-7-17-27(31)35-29(19-11-23-33(35)41)37-39-40-38(43-37)30-20-12-24-34-36(30)28-18-8-10-22-32(28)42(34)26-15-5-2-6-16-26;1-2-3-10-24-23-41(25-11-8-19-37-21-25)31-17-6-14-28(33(24)31)35-39-40-36(43-35)29-15-7-18-32-34(29)27-13-4-5-16-30(27)42(32)26-12-9-20-38-22-26/h3-33H,1-2H2;1-32H;1-30H;1-29H;1-29,47H;1-24H;2-23H,1H2/b;;;;18-5-,27-6+,47-36-;;10-3-
InChIKeyLPENMXHBECYHBQ-PQTFUHIISA-N
XLogP77.03
TPSA532.88 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds45
Heavy Atoms367
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004725.42
LogP ≤ 577.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Analyze 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The IUPAC name of 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine (CID 159416162) is 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The canonical SMILES for 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine is C=C/C=C\c1cn(-c2cccnc2)c2cccc(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccnc4)o3)c12.C=Cc1c(C(=C)c2nnc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[H]/N=C(/C=C\C=C\n1c2ccccc2c2c(-c3nnc(-c4cccc5c4c4ccccc4n5-c4cccc(-c5cccnc5)n4)o3)cccc21)c1cccnc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)o5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)n6)o5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5nnc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)o5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3c(-c4nnc(-c5cccc6c5c5ccccc5n6-c5ccccc5)o4)cccc32)cc1.
What is the InChIKey of 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
The InChIKey is LPENMXHBECYHBQ-PQTFUHIISA-N. The full InChI is InChI=1S/C53H35N7O.C50H32N4O.C48H30N6O.C47H29N7O.C46H30N8O.C38H24N4O.C36H24N6O/c1-3-44-48(34(2)52-57-58-53(61-52)38-30-31-47-43(33-38)41-26-13-15-28-45(41)59(47)39-23-11-6-12-24-39)42-27-14-16-29-46(42)60(44)40-25-17-22-37(32-40)51-55-49(35-18-7-4-8-19-35)54-50(56-51)36-20-9-5-10-21-36;1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-43-27-9-7-23-39(43)47-41(25-13-29-45(47)53)49-51-52-50(55-49)42-26-14-30-46-48(42)40-24-8-10-28-44(40)54(46)38-22-12-20-36(32-38)34-17-5-2-6-18-34;1-3-15-31(16-4-1)37-23-13-29-43(49-37)53-39-25-9-7-19-33(39)45-35(21-11-27-41(45)53)47-51-52-48(55-47)36-22-12-28-42-46(36)34-20-8-10-26-40(34)54(42)44-30-14-24-38(50-44)32-17-5-2-6-18-32;1-4-15-30(16-5-1)43-48-44(31-17-6-2-7-18-31)50-47(49-43)54-39-25-13-11-22-35(39)42-36(23-14-26-41(42)54)46-52-51-45(55-46)32-27-28-40-37(29-32)34-21-10-12-24-38(34)53(40)33-19-8-3-9-20-33;47-36(30-12-10-25-48-28-30)18-5-6-27-53-38-20-3-1-14-32(38)43-34(16-7-22-40(43)53)45-51-52-46(55-45)35-17-8-23-41-44(35)33-15-2-4-21-39(33)54(41)42-24-9-19-37(50-42)31-13-11-26-49-29-31;1-3-13-25(14-4-1)41-31-21-9-7-17-27(31)35-29(19-11-23-33(35)41)37-39-40-38(43-37)30-20-12-24-34-36(30)28-18-8-10-22-32(28)42(34)26-15-5-2-6-16-26;1-2-3-10-24-23-41(25-11-8-19-37-21-25)31-17-6-14-28(33(24)31)35-39-40-36(43-35)29-15-7-18-32-34(29)27-13-4-5-16-30(27)42(32)26-12-9-20-38-22-26/h3-33H,1-2H2;1-32H;1-30H;1-29H;1-29,47H;1-24H;2-23H,1H2/b;;;;18-5-,27-6+,47-36-;;10-3-.
What are the key properties of 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine?
2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine has a molecular weight of 4725.42 g/mol, XLogP of 77.03, 45 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2,5-bis[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[3-[(1Z)-buta-1,3-dienyl]-1-pyridin-3-ylindol-4-yl]-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[1-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenylindol-3-yl]ethenyl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;(2Z,4E)-1-pyridin-3-yl-5-[4-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 159416162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).