N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine

C443H330F2N12 — CID 159507052

IUPACN-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine
SMILESC(=C/c1cc2c3c(ccc4cccc(c43)C2(c2ccccc2)c2ccccc2)c1)\c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc1c4c23.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1F.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H39N.C51H35N.C49H36FN.C49H36N2.C45H33N.C41H31N.C39H33N.C38H30FN.C38H28N2.C37H29N/c1-55(2)51-22-12-13-38-27-28-39-33-37(34-52(55)54(39)53(38)51)24-23-36-25-29-41(30-26-36)57(40-14-4-3-5-15-40)42-31-32-50-46(35-42)45-18-8-11-21-49(45)56(50)47-19-9-6-16-43(47)44-17-7-10-20-48(44)56;1-5-15-42(16-6-1)51(43-17-7-2-8-18-43)47-23-13-14-38-28-29-41-33-37(34-48(51)50(41)49(38)47)25-24-36-26-27-40-35-46(31-30-39(40)32-36)52(44-19-9-3-10-20-44)45-21-11-4-12-22-45;1-49(2)43-20-12-17-37-25-26-38-29-34(30-44(49)47(38)46(37)43)22-21-33-23-27-41(28-24-33)51(40-18-10-5-11-19-40)48-42(36-15-8-4-9-16-36)31-39(32-45(48)50)35-13-6-3-7-14-35;1-49(2)43-18-11-12-35-24-25-36-30-34(31-44(49)48(36)47(35)43)21-20-33-22-26-39(27-23-33)50(37-13-5-3-6-14-37)40-28-29-46-42(32-40)41-17-9-10-19-45(41)51(46)38-15-7-4-8-16-38;1-45(2)40-18-10-12-32-23-24-34-27-31(28-41(45)44(34)43(32)40)20-19-30-21-25-36(26-22-30)46(35-13-4-3-5-14-35)42-29-33-11-6-7-15-37(33)38-16-8-9-17-39(38)42;1-41(2)37-14-8-11-31-19-20-33-25-29(26-38(41)40(33)39(31)37)16-15-28-17-22-35(23-18-28)42(34-12-4-3-5-13-34)36-24-21-30-9-6-7-10-32(30)27-36;1-26-10-5-7-14-35(26)40(36-15-8-6-11-27(36)2)32-22-18-28(19-23-32)16-17-29-24-31-21-20-30-12-9-13-33-37(30)38(31)34(25-29)39(33,3)4;1-25-9-4-6-13-34(25)40(35-14-7-5-12-33(35)39)30-21-17-26(18-22-30)15-16-27-23-29-20-19-28-10-8-11-31-36(28)37(29)32(24-27)38(31,2)3;1-38(2)34-10-6-7-29-17-18-30-23-28(24-35(38)37(30)36(29)34)12-11-26-13-19-32(20-14-26)40(31-8-4-3-5-9-31)33-21-15-27(25-39)16-22-33;1-37(2)33-15-9-10-28-20-21-29-24-27(25-34(37)36(29)35(28)33)17-16-26-18-22-32(23-19-26)38(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-35H,1-2H3;1-35H;2*3-32H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;5-25H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;3-25H,1-2H3/b24-23+;25-24+;22-21+;21-20+;20-19+;16-15+;17-16+;16-15+;12-11+;17-16+/i;;;20D,21D;19D,20D;15D,16D;;;;
InChIKeyMACWWELVRSYUOR-NKXNBCDLSA-N
MW5865.63 g/mol
LogP121.24
Rot. Bonds55

About N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine

N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine (PubChem CID 159507052) has the molecular formula C443H330F2N12 and a molecular weight of 5865.63 g/mol. Its IUPAC name is N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine
PubChem CID159507052
Molecular FormulaC443H330F2N12
Molecular Weight5865.63 g/mol
Exact Mass5860.65
IUPAC NameN-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine
SMILESC(=C/c1cc2c3c(ccc4cccc(c43)C2(c2ccccc2)c2ccccc2)c1)\c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc1c4c23.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1F.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H39N.C51H35N.C49H36FN.C49H36N2.C45H33N.C41H31N.C39H33N.C38H30FN.C38H28N2.C37H29N/c1-55(2)51-22-12-13-38-27-28-39-33-37(34-52(55)54(39)53(38)51)24-23-36-25-29-41(30-26-36)57(40-14-4-3-5-15-40)42-31-32-50-46(35-42)45-18-8-11-21-49(45)56(50)47-19-9-6-16-43(47)44-17-7-10-20-48(44)56;1-5-15-42(16-6-1)51(43-17-7-2-8-18-43)47-23-13-14-38-28-29-41-33-37(34-48(51)50(41)49(38)47)25-24-36-26-27-40-35-46(31-30-39(40)32-36)52(44-19-9-3-10-20-44)45-21-11-4-12-22-45;1-49(2)43-20-12-17-37-25-26-38-29-34(30-44(49)47(38)46(37)43)22-21-33-23-27-41(28-24-33)51(40-18-10-5-11-19-40)48-42(36-15-8-4-9-16-36)31-39(32-45(48)50)35-13-6-3-7-14-35;1-49(2)43-18-11-12-35-24-25-36-30-34(31-44(49)48(36)47(35)43)21-20-33-22-26-39(27-23-33)50(37-13-5-3-6-14-37)40-28-29-46-42(32-40)41-17-9-10-19-45(41)51(46)38-15-7-4-8-16-38;1-45(2)40-18-10-12-32-23-24-34-27-31(28-41(45)44(34)43(32)40)20-19-30-21-25-36(26-22-30)46(35-13-4-3-5-14-35)42-29-33-11-6-7-15-37(33)38-16-8-9-17-39(38)42;1-41(2)37-14-8-11-31-19-20-33-25-29(26-38(41)40(33)39(31)37)16-15-28-17-22-35(23-18-28)42(34-12-4-3-5-13-34)36-24-21-30-9-6-7-10-32(30)27-36;1-26-10-5-7-14-35(26)40(36-15-8-6-11-27(36)2)32-22-18-28(19-23-32)16-17-29-24-31-21-20-30-12-9-13-33-37(30)38(31)34(25-29)39(33,3)4;1-25-9-4-6-13-34(25)40(35-14-7-5-12-33(35)39)30-21-17-26(18-22-30)15-16-27-23-29-20-19-28-10-8-11-31-36(28)37(29)32(24-27)38(31,2)3;1-38(2)34-10-6-7-29-17-18-30-23-28(24-35(38)37(30)36(29)34)12-11-26-13-19-32(20-14-26)40(31-8-4-3-5-9-31)33-21-15-27(25-39)16-22-33;1-37(2)33-15-9-10-28-20-21-29-24-27(25-34(37)36(29)35(28)33)17-16-26-18-22-32(23-19-26)38(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-35H,1-2H3;1-35H;2*3-32H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;5-25H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;3-25H,1-2H3/b24-23+;25-24+;22-21+;21-20+;20-19+;16-15+;17-16+;16-15+;12-11+;17-16+/i;;;20D,21D;19D,20D;15D,16D;;;;
InChIKeyMACWWELVRSYUOR-NKXNBCDLSA-N
XLogP121.24
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds55
Heavy Atoms457
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005865.63
LogP ≤ 5121.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethynyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethynyl]phenyl]-2-fluoro-N-(2-fluorophenyl)aniline;N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethynyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethynyl]phenyl]-N-phenylphenanthren-9-amine;N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethynyl]phenyl]-N-phenylpyren-1-amine
CID 159566421
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4,6-dimethyl-N-[4-[(E)-2-phenylethenyl]phenyl]pyrimidin-2-amine;4-[N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4-[(E)-2-phenylethenyl]anilino]benzonitrile;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(2-fluoro-4,6-diphenylphenyl)-6-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]naphthalen-2-amine
CID 162197339
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 158005966
7-[(E)-1,2-dideuterio-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]-N-(4-fluorophenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;4-[(E)-1,2-dideuterio-2-[2,3,5,6-tetrafluoro-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]-N-(4-fluorophenyl)-N-phenylaniline;4-[N-(9,9-dimethylfluoren-2-yl)-4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]anilino]benzonitrile;N-(4-fluorophenyl)-4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]-N-phenylaniline;N-[4-[(E)-2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-phenyl-N-[4-[(E)-2-[2,3,5,6-tetrafluoro-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 161201132
9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile
CID 159624668
N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163530919
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163462319
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163482556
N-(9,9-diphenylfluoren-2-yl)-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine;4-[(9,9-diphenylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160678187
N-[4-[(E)-2-[4-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;3-[(E)-2-[4-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)phenyl]ethenyl]-10-(4-methylphenyl)phenoxazine;3-[4-[(E)-2-[4-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)phenyl]ethenyl]phenyl]-10-(4-methylphenyl)phenoxazine;N-[4-[(E)-2-[4-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine;3'-[4-[(E)-2-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-ylphenyl)ethenyl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
CID 159110679
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-amine;9,9-dimethyl-N,N-diphenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(E)-3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]fluoren-2-amine;N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]naphthalen-1-amine
CID 161184638
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylphenanthren-1-amine
CID 160822695

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine?
The IUPAC name of N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine (CID 159507052) is N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine is C(=C/c1cc2c3c(ccc4cccc(c43)C2(c2ccccc2)c2ccccc2)c1)\c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6c(F)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc1c4c23.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1C.Cc1ccccc1N(c1ccc(/C=C/c2cc3c4c(ccc5cccc(c54)C3(C)C)c2)cc1)c1ccccc1F.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[2H]/C(=C(/[2H])c1cc2c3c(ccc4cccc(c43)C2(C)C)c1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine?
The InChIKey is MACWWELVRSYUOR-NKXNBCDLSA-N. The full InChI is InChI=1S/C56H39N.C51H35N.C49H36FN.C49H36N2.C45H33N.C41H31N.C39H33N.C38H30FN.C38H28N2.C37H29N/c1-55(2)51-22-12-13-38-27-28-39-33-37(34-52(55)54(39)53(38)51)24-23-36-25-29-41(30-26-36)57(40-14-4-3-5-15-40)42-31-32-50-46(35-42)45-18-8-11-21-49(45)56(50)47-19-9-6-16-43(47)44-17-7-10-20-48(44)56;1-5-15-42(16-6-1)51(43-17-7-2-8-18-43)47-23-13-14-38-28-29-41-33-37(34-48(51)50(41)49(38)47)25-24-36-26-27-40-35-46(31-30-39(40)32-36)52(44-19-9-3-10-20-44)45-21-11-4-12-22-45;1-49(2)43-20-12-17-37-25-26-38-29-34(30-44(49)47(38)46(37)43)22-21-33-23-27-41(28-24-33)51(40-18-10-5-11-19-40)48-42(36-15-8-4-9-16-36)31-39(32-45(48)50)35-13-6-3-7-14-35;1-49(2)43-18-11-12-35-24-25-36-30-34(31-44(49)48(36)47(35)43)21-20-33-22-26-39(27-23-33)50(37-13-5-3-6-14-37)40-28-29-46-42(32-40)41-17-9-10-19-45(41)51(46)38-15-7-4-8-16-38;1-45(2)40-18-10-12-32-23-24-34-27-31(28-41(45)44(34)43(32)40)20-19-30-21-25-36(26-22-30)46(35-13-4-3-5-14-35)42-29-33-11-6-7-15-37(33)38-16-8-9-17-39(38)42;1-41(2)37-14-8-11-31-19-20-33-25-29(26-38(41)40(33)39(31)37)16-15-28-17-22-35(23-18-28)42(34-12-4-3-5-13-34)36-24-21-30-9-6-7-10-32(30)27-36;1-26-10-5-7-14-35(26)40(36-15-8-6-11-27(36)2)32-22-18-28(19-23-32)16-17-29-24-31-21-20-30-12-9-13-33-37(30)38(31)34(25-29)39(33,3)4;1-25-9-4-6-13-34(25)40(35-14-7-5-12-33(35)39)30-21-17-26(18-22-30)15-16-27-23-29-20-19-28-10-8-11-31-36(28)37(29)32(24-27)38(31,2)3;1-38(2)34-10-6-7-29-17-18-30-23-28(24-35(38)37(30)36(29)34)12-11-26-13-19-32(20-14-26)40(31-8-4-3-5-9-31)33-21-15-27(25-39)16-22-33;1-37(2)33-15-9-10-28-20-21-29-24-27(25-34(37)36(29)35(28)33)17-16-26-18-22-32(23-19-26)38(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-35H,1-2H3;1-35H;2*3-32H,1-2H3;3-29H,1-2H3;3-27H,1-2H3;5-25H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;3-25H,1-2H3/b24-23+;25-24+;22-21+;21-20+;20-19+;16-15+;17-16+;16-15+;12-11+;17-16+/i;;;20D,21D;19D,20D;15D,16D;;;;.
What are the key properties of N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine?
N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine has a molecular weight of 5865.63 g/mol, XLogP of 121.24, 55 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[(E)-1,2-dideuterio-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenylphenanthren-9-amine;4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylaniline;4-(N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]anilino)benzonitrile;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-(2-fluorophenyl)-2-methylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-3-amine;6-[(E)-2-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N,N-diphenylnaphthalen-2-amine is sourced from PubChem (CID 159507052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).