9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C296H175N19O9S2 — CID 158379447

About 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 158379447) has the molecular formula C296H175N19O9S2 and a molecular weight of 4205.91 g/mol. Its IUPAC name is 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 158379447
• Molecular Formula: C296H175N19O9S2
• Molecular Weight: 4205.91 g/mol
• Exact Mass: 4202.33
• IUPAC Name: 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)n2)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cccc32)cc1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc(-c2ccc3c(c2)sc2ccccc23)cn1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2cnccc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncsc2c1
• InChI: InChI=1S/C45H28N2O.2C44H27N3O.C39H22N2OS.C35H21N3O.C31H18N2O.C29H16N2O2.C29H16N2OS/c1-3-13-29(14-4-1)32-27-38(30-15-5-2-6-16-30)46-39(28-32)31-23-25-33(26-24-31)47-40-21-11-9-19-36(40)43-44(47)35-18-8-7-17-34(35)42-37-20-10-12-22-41(37)48-45(42)43;1-3-13-28(14-4-1)36-27-37(29-15-5-2-6-16-29)46-44(45-36)30-23-25-31(26-24-30)47-38-21-11-9-19-34(38)41-42(47)33-18-8-7-17-32(33)40-35-20-10-12-22-39(35)48-43(40)41;1-3-13-28(14-4-1)36-25-31(26-37(46-36)29-15-5-2-6-16-29)30-23-24-40(45-27-30)47-38-21-11-9-19-34(38)42-43(47)33-18-8-7-17-32(33)41-35-20-10-12-22-39(35)48-44(41)42;1-2-11-28-27(10-1)36-30-13-4-7-15-32(30)42-39(36)37-29-12-3-6-14-31(29)41(38(28)37)35-20-18-24(22-40-35)23-17-19-26-25-9-5-8-16-33(25)43-34(26)21-23;1-2-11-22(12-3-1)37-21-36-33-28(37)18-10-19-29(33)38-27-17-8-6-15-25(27)32-34(38)24-14-5-4-13-23(24)31-26-16-7-9-20-30(26)39-35(31)32;1-2-8-23-22(7-1)28-25-10-4-6-12-27(25)34-31(28)29-24-9-3-5-11-26(24)33(30(23)29)21-14-13-20-18-32-16-15-19(20)17-21;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)33-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)32-16-30-22;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)32-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)33-16-30-22/h1-28H;2*1-27H;1-22H;1-21H;1-18H;2*1-16H
• InChIKey: GVPJTWDNUKVJPS-UHFFFAOYSA-N
• XLogP: 80.74
• TPSA: 291.53 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4205.91
LogP ≤ 5	80.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 158379447) is 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cc3)n2)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c6oc7ccccc7c6c6ccccc6c54)cccc32)cc1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc(-c2ccc3c(c2)sc2ccccc23)cn1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2cnccc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncoc2c1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ccc2ncsc2c1.

What is the InChIKey of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is GVPJTWDNUKVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O.2C44H27N3O.C39H22N2OS.C35H21N3O.C31H18N2O.C29H16N2O2.C29H16N2OS/c1-3-13-29(14-4-1)32-27-38(30-15-5-2-6-16-30)46-39(28-32)31-23-25-33(26-24-31)47-40-21-11-9-19-36(40)43-44(47)35-18-8-7-17-34(35)42-37-20-10-12-22-41(37)48-45(42)43;1-3-13-28(14-4-1)36-27-37(29-15-5-2-6-16-29)46-44(45-36)30-23-25-31(26-24-30)47-38-21-11-9-19-34(38)41-42(47)33-18-8-7-17-32(33)40-35-20-10-12-22-39(35)48-43(40)41;1-3-13-28(14-4-1)36-25-31(26-37(46-36)29-15-5-2-6-16-29)30-23-24-40(45-27-30)47-38-21-11-9-19-34(38)42-43(47)33-18-8-7-17-32(33)41-35-20-10-12-22-39(35)48-44(41)42;1-2-11-28-27(10-1)36-30-13-4-7-15-32(30)42-39(36)37-29-12-3-6-14-31(29)41(38(28)37)35-20-18-24(22-40-35)23-17-19-26-25-9-5-8-16-33(25)43-34(26)21-23;1-2-11-22(12-3-1)37-21-36-33-28(37)18-10-19-29(33)38-27-17-8-6-15-25(27)32-34(38)24-14-5-4-13-23(24)31-26-16-7-9-20-30(26)39-35(31)32;1-2-8-23-22(7-1)28-25-10-4-6-12-27(25)34-31(28)29-24-9-3-5-11-26(24)33(30(23)29)21-14-13-20-18-32-16-15-19(20)17-21;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)33-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)32-16-30-22;1-2-8-19-18(7-1)26-21-10-4-6-12-24(21)32-29(26)27-20-9-3-5-11-23(20)31(28(19)27)17-13-14-22-25(15-17)33-16-30-22/h1-28H;2*1-27H;1-22H;1-21H;1-18H;2*1-16H.

What are the key properties of 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 4205.91 g/mol, XLogP of 80.74, 19 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-benzothiazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1,3-benzoxazol-6-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(5-dibenzothiophen-3-yl-2-pyridinyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-isoquinolin-6-yl-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-(1-phenylbenzimidazol-4-yl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 158379447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).