9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine

C354H224N20O4 — CID 157207856

About 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine

9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine (PubChem CID 157207856) has the molecular formula C354H224N20O4 and a molecular weight of 4821.82 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine.

Molecular Properties

• Compound Name: 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine
• PubChem CID: 157207856
• Molecular Formula: C354H224N20O4
• Molecular Weight: 4821.82 g/mol
• Exact Mass: 4817.79
• IUPAC Name: 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine
• SMILES: CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1ccc1c2c2cc(-c3ccc4c(N(c5ccc6oc7ccccc7c6c5)c5ccccc5-c5ccccc5-c5ccccc5)cccc4c3)ccc2n1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(C)cc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c7c8c(ccc7n(-c7cc(-c9ccccn9)nc(-c9cccc(-c%10ccccn%10)c9)n7)c6c5)oc5cc6c7ccccc7c7ccccc7c6cc58)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc32)c1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5cc(-c6ccccc6N(c6ccccc6)c6cccc7cc8ccccc8cc67)ccc5c5c6c(ccc54)oc4cc5c7ccccc7c7ccccc7c5cc46)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccn4)cc(-n4c5cc(-c6cccc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c9ccccc9c9ccccc9c8c7)c6)ccc5c5c6c(ccc54)oc4cc5c7ccccc7c7ccccc7c5cc46)n3)c2)cc1
• InChI: InChI=1S/C94H61N7O.C93H57N5O.C89H58N4O.C78H48N4O/c1-58-46-59(2)48-70(47-58)100-85-33-14-13-30-76(85)80-54-69(39-41-86(80)100)99(71-51-66(60-20-5-3-6-21-60)50-67(52-71)61-22-7-4-8-23-61)68-37-34-62(35-38-68)63-36-40-77-88(53-63)101(91-57-84(83-32-16-18-45-96-83)97-94(98-91)65-25-19-24-64(49-65)82-31-15-17-44-95-82)87-42-43-89-93(92(77)87)81-55-78-74-28-11-9-26-72(74)73-27-10-12-29-75(73)79(78)56-90(81)102-89;1-4-22-58(23-5-1)61-28-20-30-64(48-61)93-95-85(84-40-18-19-47-94-84)57-90(96-93)98-86-45-46-88-92(83-55-81-76-38-16-13-34-72(76)73-35-14-17-39-77(73)82(81)56-89(83)99-88)91(86)79-43-41-63(53-87(79)98)62-29-21-31-67(50-62)97(69-51-65(59-24-6-2-7-25-59)49-66(52-69)60-26-8-3-9-27-60)68-42-44-78-74-36-11-10-32-70(74)71-33-12-15-37-75(71)80(78)54-68;1-89(2)76-45-47-82-87(86(76)74-52-71-67-34-16-14-32-65(67)66-33-15-17-35-68(66)72(71)53-77(74)89)75-50-59(42-46-81(75)93(82)85-54-78(56-25-8-4-9-26-56)90-88(91-85)57-27-10-5-11-28-57)58-41-44-63-60(49-58)29-22-39-79(63)92(61-43-48-84-73(51-61)70-37-19-21-40-83(70)94-84)80-38-20-18-36-69(80)64-31-13-12-30-62(64)55-23-6-3-7-24-55;1-4-20-49(21-5-1)51-26-18-28-56(43-51)78-79-68(50-22-6-2-7-23-50)48-75(80-78)82-71-40-41-73-77(67-46-65-61-34-14-12-32-59(61)60-33-13-15-35-62(60)66(65)47-74(67)83-73)76(71)63-39-38-55(45-72(63)82)58-31-16-17-36-69(58)81(57-29-8-3-9-30-57)70-37-19-27-54-42-52-24-10-11-25-53(52)44-64(54)70/h3-57H,1-2H3;1-57H;3-54H,1-2H3;1-48H
• InChIKey: ARNYUBQAQPQIPP-UHFFFAOYSA-N
• XLogP: 95.74
• TPSA: 231.96 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 378
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4821.82
LogP ≤ 5	95.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine?

The IUPAC name of 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine (CID 157207856) is 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine.

What is the SMILES notation for 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine?

The canonical SMILES for 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1ccc1c2c2cc(-c3ccc4c(N(c5ccc6oc7ccccc7c6c5)c5ccccc5-c5ccccc5-c5ccccc5)cccc4c3)ccc2n1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(C)cc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6c7c8c(ccc7n(-c7cc(-c9ccccn9)nc(-c9cccc(-c%10ccccn%10)c9)n7)c6c5)oc5cc6c7ccccc7c7ccccc7c6cc58)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc32)c1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5cc(-c6ccccc6N(c6ccccc6)c6cccc7cc8ccccc8cc67)ccc5c5c6c(ccc54)oc4cc5c7ccccc7c7ccccc7c5cc46)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccn4)cc(-n4c5cc(-c6cccc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c9ccccc9c9ccccc9c8c7)c6)ccc5c5c6c(ccc54)oc4cc5c7ccccc7c7ccccc7c5cc46)n3)c2)cc1.

What is the InChIKey of 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine?

The InChIKey is ARNYUBQAQPQIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H61N7O.C93H57N5O.C89H58N4O.C78H48N4O/c1-58-46-59(2)48-70(47-58)100-85-33-14-13-30-76(85)80-54-69(39-41-86(80)100)99(71-51-66(60-20-5-3-6-21-60)50-67(52-71)61-22-7-4-8-23-61)68-37-34-62(35-38-68)63-36-40-77-88(53-63)101(91-57-84(83-32-16-18-45-96-83)97-94(98-91)65-25-19-24-64(49-65)82-31-15-17-44-95-82)87-42-43-89-93(92(77)87)81-55-78-74-28-11-9-26-72(74)73-27-10-12-29-75(73)79(78)56-90(81)102-89;1-4-22-58(23-5-1)61-28-20-30-64(48-61)93-95-85(84-40-18-19-47-94-84)57-90(96-93)98-86-45-46-88-92(83-55-81-76-38-16-13-34-72(76)73-35-14-17-39-77(73)82(81)56-89(83)99-88)91(86)79-43-41-63(53-87(79)98)62-29-21-31-67(50-62)97(69-51-65(59-24-6-2-7-25-59)49-66(52-69)60-26-8-3-9-27-60)68-42-44-78-74-36-11-10-32-70(74)71-33-12-15-37-75(71)80(78)54-68;1-89(2)76-45-47-82-87(86(76)74-52-71-67-34-16-14-32-65(67)66-33-15-17-35-68(66)72(71)53-77(74)89)75-50-59(42-46-81(75)93(82)85-54-78(56-25-8-4-9-26-56)90-88(91-85)57-27-10-5-11-28-57)58-41-44-63-60(49-58)29-22-39-79(63)92(61-43-48-84-73(51-61)70-37-19-21-40-83(70)94-84)80-38-20-18-36-69(80)64-31-13-12-30-62(64)55-23-6-3-7-24-55;1-4-20-49(21-5-1)51-26-18-28-56(43-51)78-79-68(50-22-6-2-7-23-50)48-75(80-78)82-71-40-41-73-77(67-46-65-61-34-14-12-32-59(61)60-33-13-15-35-62(60)66(65)47-74(67)83-73)76(71)63-39-38-55(45-72(63)82)58-31-16-17-36-69(58)81(57-29-8-3-9-30-57)70-37-19-27-54-42-52-24-10-11-25-53(52)44-64(54)70/h3-57H,1-2H3;1-57H;3-54H,1-2H3;1-48H.

What are the key properties of 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine?

9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine has a molecular weight of 4821.82 g/mol, XLogP of 95.74, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-dimethylphenyl)-N-(3,5-diphenylphenyl)-N-[4-[27-[6-pyridin-2-yl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]carbazol-3-amine;N-(3,5-diphenylphenyl)-N-[3-[27-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]triphenylen-2-amine;N-[6-[27-(2,6-diphenylpyrimidin-4-yl)-32,32-dimethyl-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-23-yl]naphthalen-1-yl]-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[2-[27-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-32-oxa-27-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.020,28.021,26]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20(28),21(26),22,24,29-pentadecaen-24-yl]phenyl]anthracen-1-amine is sourced from PubChem (CID 157207856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).