N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine

C388H243N25O2S4 — CID 157050537

About N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine

N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine (PubChem CID 157050537) has the molecular formula C388H243N25O2S4 and a molecular weight of 5415.65 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine.

Molecular Properties

• Compound Name: N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine
• PubChem CID: 157050537
• Molecular Formula: C388H243N25O2S4
• Molecular Weight: 5415.65 g/mol
• Exact Mass: 5410.86
• IUPAC Name: N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine
• SMILES: CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(-c5cccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)ccc4n(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)c3cc21.COc1ccc(N(c2cc3c4c(cccc4c2)CC=C3)c2ccc3c4cc5sc6cc7c8ccccc8c8ccccc8c7cc6c5cc4n(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccc(-c6cccc(N(c7ccncc7)c7cccc(-c8ccccc8)c7)c6)cc5c5cc6sc7cc8c9ccccc9c9ccccc9c8cc7c6cc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4c5cc6c(cc5n(-c5ccnc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c5)c4c3)sc3cc4c5ccccc5c5ccccc5c4cc36)c2)cc1.c1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ncnc5ccccc45)sc4cc5c7ccccc7c7ccccc7c5cc46)cc3)c3ccc4cc5ccccc5cc4c3)c2)cc1
• InChI: InChI=1S/C97H64N6.C76H46N4S.C75H47N5S.C74H44N6OS.C66H42N4OS/c1-97(2)86-58-81-75-34-12-10-32-73(75)72-31-9-11-33-74(72)80(81)56-82(86)83-57-85-84-55-65(43-52-93(84)103(94(85)59-87(83)97)95-60-88(98-96(99-95)62-25-7-4-8-26-62)66-29-21-27-63(53-66)61-23-5-3-6-24-61)64-28-22-30-71(54-64)100(67-44-48-69(49-45-67)101-89-39-17-13-35-76(89)77-36-14-18-40-90(77)101)68-46-50-70(51-47-68)102-91-41-19-15-37-78(91)79-38-16-20-42-92(79)102;1-2-15-48(16-3-1)58-21-6-7-22-59(58)53-19-14-20-56(39-53)79(57-35-31-51-37-49-17-4-5-18-50(49)38-54(51)40-57)55-33-29-47(30-34-55)52-32-36-72-67(41-52)68-43-70-69-42-65-62-25-10-8-23-60(62)61-24-9-11-26-63(61)66(65)44-74(69)81-75(70)45-73(68)80(72)76-64-27-12-13-28-71(64)77-46-78-76;1-4-16-48(17-5-1)50-30-32-51(33-31-50)69-47-74(78-75(77-69)52-20-8-3-9-21-52)80-70-35-34-55(54-23-15-25-58(41-54)79(56-36-38-76-39-37-56)57-24-14-22-53(40-57)49-18-6-2-7-19-49)42-65(70)66-46-73-68(44-71(66)80)67-43-63-61-28-12-10-26-59(61)60-27-11-13-29-62(60)64(63)45-72(67)81-73;1-4-17-45(18-5-1)48-23-16-24-49(37-48)79(50-32-34-69-62(38-50)58-29-14-15-30-68(58)81-69)51-31-33-57-61-42-64-63-41-59-55-27-12-10-25-53(55)54-26-11-13-28-56(54)60(59)43-70(63)82-71(64)44-67(61)80(66(57)40-51)52-35-36-75-65(39-52)74-77-72(46-19-6-2-7-20-46)76-73(78-74)47-21-8-3-9-22-47;1-71-48-29-26-45(27-30-48)69(47-32-43-20-12-18-41-19-13-21-44(33-47)65(41)43)46-28-31-53-56-38-63-58(57-35-54-51-24-10-8-22-49(51)50-23-9-11-25-52(50)55(54)37-62(57)72-63)36-61(56)70(60(53)34-46)64-39-59(40-14-4-2-5-15-40)67-66(68-64)42-16-6-3-7-17-42/h3-60H,1-2H3;1-46H;1-47H;1-44H;2-18,20-39H,19H2,1H3
• InChIKey: AADNMNAWANBRHS-UHFFFAOYSA-N
• XLogP: 105.77
• TPSA: 240.65 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 419
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5415.65
LogP ≤ 5	105.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine?

The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine (CID 157050537) is N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine.

What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine?

The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(-c5cccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)ccc4n(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)c3cc21.COc1ccc(N(c2cc3c4c(cccc4c2)CC=C3)c2ccc3c4cc5sc6cc7c8ccccc8c8ccccc8c7cc6c5cc4n(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccc(-c6cccc(N(c7ccncc7)c7cccc(-c8ccccc8)c7)c6)cc5c5cc6sc7cc8c9ccccc9c9ccccc9c8cc7c6cc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4c5cc6c(cc5n(-c5ccnc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c5)c4c3)sc3cc4c5ccccc5c5ccccc5c4cc36)c2)cc1.c1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ncnc5ccccc45)sc4cc5c7ccccc7c7ccccc7c5cc46)cc3)c3ccc4cc5ccccc5cc4c3)c2)cc1.

What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine?

The InChIKey is AADNMNAWANBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H64N6.C76H46N4S.C75H47N5S.C74H44N6OS.C66H42N4OS/c1-97(2)86-58-81-75-34-12-10-32-73(75)72-31-9-11-33-74(72)80(81)56-82(86)83-57-85-84-55-65(43-52-93(84)103(94(85)59-87(83)97)95-60-88(98-96(99-95)62-25-7-4-8-26-62)66-29-21-27-63(53-66)61-23-5-3-6-24-61)64-28-22-30-71(54-64)100(67-44-48-69(49-45-67)101-89-39-17-13-35-76(89)77-36-14-18-40-90(77)101)68-46-50-70(51-47-68)102-91-41-19-15-37-78(91)79-38-16-20-42-92(79)102;1-2-15-48(16-3-1)58-21-6-7-22-59(58)53-19-14-20-56(39-53)79(57-35-31-51-37-49-17-4-5-18-50(49)38-54(51)40-57)55-33-29-47(30-34-55)52-32-36-72-67(41-52)68-43-70-69-42-65-62-25-10-8-23-60(62)61-24-9-11-26-63(61)66(65)44-74(69)81-75(70)45-73(68)80(72)76-64-27-12-13-28-71(64)77-46-78-76;1-4-16-48(17-5-1)50-30-32-51(33-31-50)69-47-74(78-75(77-69)52-20-8-3-9-21-52)80-70-35-34-55(54-23-15-25-58(41-54)79(56-36-38-76-39-37-56)57-24-14-22-53(40-57)49-18-6-2-7-19-49)42-65(70)66-46-73-68(44-71(66)80)67-43-63-61-28-12-10-26-59(61)60-27-11-13-29-62(60)64(63)45-72(67)81-73;1-4-17-45(18-5-1)48-23-16-24-49(37-48)79(50-32-34-69-62(38-50)58-29-14-15-30-68(58)81-69)51-31-33-57-61-42-64-63-41-59-55-27-12-10-25-53(55)54-26-11-13-28-56(54)60(59)43-70(63)82-71(64)44-67(61)80(66(57)40-51)52-35-36-75-65(39-52)74-77-72(46-19-6-2-7-20-46)76-73(78-74)47-21-8-3-9-22-47;1-71-48-29-26-45(27-30-48)69(47-32-43-20-12-18-41-19-13-21-44(33-47)65(41)43)46-28-31-53-56-38-63-58(57-35-54-51-24-10-8-22-49(51)50-23-9-11-25-52(50)55(54)37-62(57)72-63)36-61(56)70(60(53)34-46)64-39-59(40-14-4-2-5-15-40)67-66(68-64)42-16-6-3-7-17-42/h3-60H,1-2H3;1-46H;1-47H;1-44H;2-18,20-39H,19H2,1H3.

What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine?

N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine has a molecular weight of 5415.65 g/mol, XLogP of 105.77, 41 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-carbazol-9-ylphenyl)-3-[32,32-dimethyl-28-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]aniline;N-dibenzofuran-2-yl-28-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-N-(3-phenylphenyl)-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-25-amine;22-(2,6-diphenylpyrimidin-4-yl)-N-(4-methoxyphenyl)-N-(6H-phenalen-2-yl)-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-25-amine;N-(3-phenylphenyl)-N-[3-[22-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-32-thia-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),23(28),24,26,30-pentadecaen-26-yl]phenyl]pyridin-4-amine;N-[3-(2-phenylphenyl)phenyl]-N-[4-(28-quinazolin-4-yl-32-thia-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl)phenyl]anthracen-2-amine is sourced from PubChem (CID 157050537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).