17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene

C319H219B8N19O6S6 — CID 157224929

About 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene

17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene (PubChem CID 157224929) has the molecular formula C319H219B8N19O6S6 and a molecular weight of 4693.29 g/mol. Its IUPAC name is 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene.

Molecular Properties

• Compound Name: 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene
• PubChem CID: 157224929
• Molecular Formula: C319H219B8N19O6S6
• Molecular Weight: 4693.29 g/mol
• Exact Mass: 4690.65
• IUPAC Name: 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene
• SMILES: CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6C(C)(C)c6cccc(c63)B5c3cccc5c3N4c3ccccc3C5(C)C)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6Oc6cccc(c63)B5c3cccc5c3N4c3ccccc3O5)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6Sc6cccc(c63)B5c3cccc5c3N4c3ccccc3S5)cc2)c2ccccc21.CC1(C)c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5C(C)(C)c5cc1c2c3c54.Cc1ccc2c(c1)B1c3cc(C)ccc3-n3c4ccccc4oc4cc5oc6ccccc6n-2c5c1c43.Cc1ccc2c(c1)B1c3cc(C)ccc3-n3c4ccccc4sc4cc5sc6ccccc6n-2c5c1c43.c1ccc2c(c1)B1c3ccccc3-n3c4ccccc4oc4cc5oc6ccccc6n-2c5c1c43.c1ccc2c(c1)B1c3ccccc3-n3c4ccccc4sc4cc5sc6ccccc6n-2c5c1c43
• InChI: InChI=1S/C57H46BN3.C51H34BN3O2.C51H34BN3S2.C36H29BN2.C32H21BN2O2.C32H21BN2S2.C30H17BN2O2.C30H17BN2S2/c1-55(2)38-17-7-11-25-46(38)59(47-26-12-8-18-39(47)55)37-31-29-35(30-32-37)36-33-50-52-51(34-36)61-49-28-14-10-20-41(49)57(5,6)43-22-16-24-45(54(43)61)58(52)44-23-15-21-42-53(44)60(50)48-27-13-9-19-40(48)56(42,3)4;2*1-51(2)34-13-3-5-17-38(34)53(39-18-6-4-14-35(39)51)33-27-25-31(26-28-33)32-29-42-48-43(30-32)55-41-20-8-10-22-45(41)57-47-24-12-16-37(50(47)55)52(48)36-15-11-23-46-49(36)54(42)40-19-7-9-21-44(40)56-46;1-35(2)22-13-5-9-17-28(22)38-30-19-11-7-15-26(30)37-27-16-8-12-20-31(27)39-29-18-10-6-14-23(29)36(3,4)25-21-24(35)33(38)32(37)34(25)39;2*1-18-11-13-22-20(15-18)33-21-16-19(2)12-14-23(21)35-25-8-4-6-10-27(25)37-29-17-28-31(30(33)32(29)35)34(22)24-7-3-5-9-26(24)36-28;2*1-3-11-20-18(9-1)31-19-10-2-4-12-21(19)33-23-14-6-8-16-25(23)35-27-17-26-29(28(31)30(27)33)32(20)22-13-5-7-15-24(22)34-26/h7-34H,1-6H3;2*3-30H,1-2H3;5-21H,1-4H3;2*3-17H,1-2H3;2*1-17H
• InChIKey: ATKUIJPNCSJSGA-UHFFFAOYSA-N
• XLogP: 68.55
• TPSA: 146.10 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 6
• Heavy Atoms: 358
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4693.29
LogP ≤ 5	68.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene?

The IUPAC name of 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene (CID 157224929) is 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene.

What is the SMILES notation for 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene?

The canonical SMILES for 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene is CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6C(C)(C)c6cccc(c63)B5c3cccc5c3N4c3ccccc3C5(C)C)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6Oc6cccc(c63)B5c3cccc5c3N4c3ccccc3O5)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc4c5c(c3)N3c6ccccc6Sc6cccc(c63)B5c3cccc5c3N4c3ccccc3S5)cc2)c2ccccc21.CC1(C)c2ccccc2N2c3ccccc3B3c4ccccc4N4c5ccccc5C(C)(C)c5cc1c2c3c54.Cc1ccc2c(c1)B1c3cc(C)ccc3-n3c4ccccc4oc4cc5oc6ccccc6n-2c5c1c43.Cc1ccc2c(c1)B1c3cc(C)ccc3-n3c4ccccc4sc4cc5sc6ccccc6n-2c5c1c43.c1ccc2c(c1)B1c3ccccc3-n3c4ccccc4oc4cc5oc6ccccc6n-2c5c1c43.c1ccc2c(c1)B1c3ccccc3-n3c4ccccc4sc4cc5sc6ccccc6n-2c5c1c43.

What is the InChIKey of 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene?

The InChIKey is ATKUIJPNCSJSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46BN3.C51H34BN3O2.C51H34BN3S2.C36H29BN2.C32H21BN2O2.C32H21BN2S2.C30H17BN2O2.C30H17BN2S2/c1-55(2)38-17-7-11-25-46(38)59(47-26-12-8-18-39(47)55)37-31-29-35(30-32-37)36-33-50-52-51(34-36)61-49-28-14-10-20-41(49)57(5,6)43-22-16-24-45(54(43)61)58(52)44-23-15-21-42-53(44)60(50)48-27-13-9-19-40(48)56(42,3)4;2*1-51(2)34-13-3-5-17-38(34)53(39-18-6-4-14-35(39)51)33-27-25-31(26-28-33)32-29-42-48-43(30-32)55-41-20-8-10-22-45(41)57-47-24-12-16-37(50(47)55)52(48)36-15-11-23-46-49(36)54(42)40-19-7-9-21-44(40)56-46;1-35(2)22-13-5-9-17-28(22)38-30-19-11-7-15-26(30)37-27-16-8-12-20-31(27)39-29-18-10-6-14-23(29)36(3,4)25-21-24(35)33(38)32(37)34(25)39;2*1-18-11-13-22-20(15-18)33-21-16-19(2)12-14-23(21)35-25-8-4-6-10-27(25)37-29-17-28-31(30(33)32(29)35)34(22)24-7-3-5-9-26(24)36-28;2*1-3-11-20-18(9-1)31-19-10-2-4-12-21(19)33-23-14-6-8-16-25(23)35-27-17-26-29(28(31)30(27)33)32(20)22-13-5-7-15-24(22)34-26/h7-34H,1-6H3;2*3-30H,1-2H3;5-21H,1-4H3;2*3-17H,1-2H3;2*1-17H.

What are the key properties of 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene?

17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene has a molecular weight of 4693.29 g/mol, XLogP of 68.55, 6 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;17-[4-(9,9-dimethylacridin-10-yl)phenyl]-7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;13,19-dimethyl-2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;13,19-dimethyl-2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31,33-pentadecaene;2,30-dioxa-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,30-dithia-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene;2,2,30,30-tetramethyl-9,23-diaza-16-boranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene is sourced from PubChem (CID 157224929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).