N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene

C301H226N22 — CID 159893212

IUPACN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene
SMILESCC(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccc(cc3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc(cc3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(N2c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc2c3)cc1.c1ccc2cc(-n3c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc(c4)n(-c4ccc5ccccc5c4)c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc3c4)ccc2c1
InChIInChI=1S/C72H54N6.C64H44N4.C60H45N5.C57H47N3.C48H36N4/c1-7-25-55(26-8-1)73-61-37-19-39-63(49-61)74(56-27-9-2-10-28-56)65-41-21-43-67(51-65)76(58-31-13-4-14-32-58)69-45-23-47-71(53-69)78(60-35-17-6-18-36-60)72-48-24-46-70(54-72)77(59-33-15-5-16-34-59)68-44-22-42-66(52-68)75(57-29-11-3-12-30-57)64-40-20-38-62(73)50-64;1-5-15-49-39-61(27-23-45(49)11-1)65-53-31-33-54(34-32-53)67(63-29-25-47-13-3-7-17-51(47)41-63)59-21-10-22-60(44-59)68(64-30-26-48-14-4-8-18-52(48)42-64)56-37-35-55(36-38-56)66(58-20-9-19-57(65)43-58)62-28-24-46-12-2-6-16-50(46)40-62;1-6-21-46(22-7-1)61-51-31-16-33-53(41-51)62(47-23-8-2-9-24-47)55-35-18-37-57(43-55)64(49-27-12-4-13-28-49)59-39-20-40-60(45-59)65(50-29-14-5-15-30-50)58-38-19-36-56(44-58)63(48-25-10-3-11-26-48)54-34-17-32-52(61)42-54;1-43(2)44-23-33-53(34-24-44)60(56-39-29-47(30-40-56)45-25-35-54(36-26-45)58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)57-41-31-48(32-42-57)46-27-37-55(38-28-46)59(51-19-11-5-12-20-51)52-21-13-6-14-22-52;1-5-15-37(16-6-1)49-41-27-29-42(30-28-41)51(39-19-9-3-10-20-39)47-25-14-26-48(36-47)52(40-21-11-4-12-22-40)44-33-31-43(32-34-44)50(38-17-7-2-8-18-38)46-24-13-23-45(49)35-46/h1-54H;1-44H;1-45H;3-43H,1-2H3;1-36H
InChIKeyNVADOCJOTBXBLD-UHFFFAOYSA-N
MW4151.27 g/mol
LogP81.47
Rot. Bonds31

About N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene

N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene (PubChem CID 159893212) has the molecular formula C301H226N22 and a molecular weight of 4151.27 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene
PubChem CID159893212
Molecular FormulaC301H226N22
Molecular Weight4151.27 g/mol
Exact Mass4147.84
IUPAC NameN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene
SMILESCC(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccc(cc3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc(cc3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(N2c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc2c3)cc1.c1ccc2cc(-n3c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc(c4)n(-c4ccc5ccccc5c4)c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc3c4)ccc2c1
InChIInChI=1S/C72H54N6.C64H44N4.C60H45N5.C57H47N3.C48H36N4/c1-7-25-55(26-8-1)73-61-37-19-39-63(49-61)74(56-27-9-2-10-28-56)65-41-21-43-67(51-65)76(58-31-13-4-14-32-58)69-45-23-47-71(53-69)78(60-35-17-6-18-36-60)72-48-24-46-70(54-72)77(59-33-15-5-16-34-59)68-44-22-42-66(52-68)75(57-29-11-3-12-30-57)64-40-20-38-62(73)50-64;1-5-15-49-39-61(27-23-45(49)11-1)65-53-31-33-54(34-32-53)67(63-29-25-47-13-3-7-17-51(47)41-63)59-21-10-22-60(44-59)68(64-30-26-48-14-4-8-18-52(48)42-64)56-37-35-55(36-38-56)66(58-20-9-19-57(65)43-58)62-28-24-46-12-2-6-16-50(46)40-62;1-6-21-46(22-7-1)61-51-31-16-33-53(41-51)62(47-23-8-2-9-24-47)55-35-18-37-57(43-55)64(49-27-12-4-13-28-49)59-39-20-40-60(45-59)65(50-29-14-5-15-30-50)58-38-19-36-56(44-58)63(48-25-10-3-11-26-48)54-34-17-32-52(61)42-54;1-43(2)44-23-33-53(34-24-44)60(56-39-29-47(30-40-56)45-25-35-54(36-26-45)58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)57-41-31-48(32-42-57)46-27-37-55(38-28-46)59(51-19-11-5-12-20-51)52-21-13-6-14-22-52;1-5-15-37(16-6-1)49-41-27-29-42(30-28-41)51(39-19-9-3-10-20-39)47-25-14-26-48(36-47)52(40-21-11-4-12-22-40)44-33-31-43(32-34-44)50(38-17-7-2-8-18-38)46-24-13-23-45(49)35-46/h1-54H;1-44H;1-45H;3-43H,1-2H3;1-36H
InChIKeyNVADOCJOTBXBLD-UHFFFAOYSA-N
XLogP81.47
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004151.27
LogP ≤ 581.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene with MolForge

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Related Compounds

3-carbazol-9-yl-N,N-bis(4-phenylphenyl)aniline;3-carbazol-9-yl-N,N-diphenylaniline;4-carbazol-9-yl-N,N-diphenylaniline;N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 162023531
N,N-bis(4-methylphenyl)-14-naphthalen-2-yl-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine;14-naphthalen-2-yl-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine;14-naphthalen-2-yl-N,N,8-tris(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine;N,N,8-tris(4-methylphenyl)-14-naphthalen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 163662544
5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573036
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032756
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene?
The IUPAC name of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene (CID 159893212) is N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene?
The canonical SMILES for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene is CC(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccc(cc3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc(cc3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1.c1ccc(N2c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc(c3)N(c3ccccc3)c3cccc2c3)cc1.c1ccc2cc(-n3c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc(c4)n(-c4ccc5ccccc5c4)c4ccc(cc4)n(-c4ccc5ccccc5c4)c4cccc3c4)ccc2c1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene?
The InChIKey is NVADOCJOTBXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N6.C64H44N4.C60H45N5.C57H47N3.C48H36N4/c1-7-25-55(26-8-1)73-61-37-19-39-63(49-61)74(56-27-9-2-10-28-56)65-41-21-43-67(51-65)76(58-31-13-4-14-32-58)69-45-23-47-71(53-69)78(60-35-17-6-18-36-60)72-48-24-46-70(54-72)77(59-33-15-5-16-34-59)68-44-22-42-66(52-68)75(57-29-11-3-12-30-57)64-40-20-38-62(73)50-64;1-5-15-49-39-61(27-23-45(49)11-1)65-53-31-33-54(34-32-53)67(63-29-25-47-13-3-7-17-51(47)41-63)59-21-10-22-60(44-59)68(64-30-26-48-14-4-8-18-52(48)42-64)56-37-35-55(36-38-56)66(58-20-9-19-57(65)43-58)62-28-24-46-12-2-6-16-50(46)40-62;1-6-21-46(22-7-1)61-51-31-16-33-53(41-51)62(47-23-8-2-9-24-47)55-35-18-37-57(43-55)64(49-27-12-4-13-28-49)59-39-20-40-60(45-59)65(50-29-14-5-15-30-50)58-38-19-36-56(44-58)63(48-25-10-3-11-26-48)54-34-17-32-52(61)42-54;1-43(2)44-23-33-53(34-24-44)60(56-39-29-47(30-40-56)45-25-35-54(36-26-45)58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)57-41-31-48(32-42-57)46-27-37-55(38-28-46)59(51-19-11-5-12-20-51)52-21-13-6-14-22-52;1-5-15-37(16-6-1)49-41-27-29-42(30-28-41)51(39-19-9-3-10-20-39)47-25-14-26-48(36-47)52(40-21-11-4-12-22-40)44-33-31-43(32-34-44)50(38-17-7-2-8-18-38)46-24-13-23-45(49)35-46/h1-54H;1-44H;1-45H;3-43H,1-2H3;1-36H.
What are the key properties of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene?
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene has a molecular weight of 4151.27 g/mol, XLogP of 81.47, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene is sourced from PubChem (CID 159893212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).