9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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

C302H182N26O10 — CID 157060209

IUPAC9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cn3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ncncn1.c1ccc2oc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc2c1.c1cnc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1
InChIInChI=1S/2C41H26N2O.2C39H24N4O.C35H21N3O.C29H16N2O2.C27H16N2O.C26H15N3O.C25H14N4O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40;1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-15-32(37)33-23-24-39-40(41(33)43)34-16-8-10-18-38(34)44-39;1-3-11-25(12-4-1)31-21-27(22-32(42-31)26-13-5-2-6-14-26)33-23-41-37(24-40-33)43-34-17-9-7-16-30(34)38-35(43)20-19-29-28-15-8-10-18-36(28)44-39(29)38;1-3-11-25(12-4-1)32-21-27(22-33(42-32)26-13-5-2-6-14-26)28-23-40-39(41-24-28)43-34-17-9-7-15-29(34)30-19-20-36-37(38(30)43)31-16-8-10-18-35(31)44-36;1-2-12-22(13-3-1)37-29-20-10-8-18-27(29)36-35(37)38-28-19-9-6-16-25(28)32-33(38)24-15-5-4-14-23(24)31-26-17-7-11-21-30(26)39-34(31)32;1-2-10-18-17(9-1)25-20-12-4-7-15-23(20)32-28(25)26-19-11-3-6-14-22(19)31(27(18)26)29-30-21-13-5-8-16-24(21)33-29;1-2-10-18-17(9-1)24-20-12-4-6-14-22(20)30-27(24)25-19-11-3-5-13-21(19)29(26(18)25)23-15-7-8-16-28-23;1-2-9-17-16(8-1)22-19-11-4-6-13-21(19)30-25(22)23-18-10-3-5-12-20(18)29(24(17)23)26-27-14-7-15-28-26;1-2-8-16-15(7-1)21-18-10-4-6-12-20(18)30-24(21)22-17-9-3-5-11-19(17)29(23(16)22)25-27-13-26-14-28-25/h2*1-26H;2*1-24H;1-21H;1-16H;1-16H;1-15H;1-14H
InChIKeyABFZTIJJKAOHMR-UHFFFAOYSA-N
MW4334.95 g/mol
LogP78.93
Rot. Bonds22

About 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 157060209) has the molecular formula C302H182N26O10 and a molecular weight of 4334.95 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 Name9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 CID157060209
Molecular FormulaC302H182N26O10
Molecular Weight4334.95 g/mol
Exact Mass4331.45
IUPAC Name9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cn3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ncncn1.c1ccc2oc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc2c1.c1cnc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1
InChIInChI=1S/2C41H26N2O.2C39H24N4O.C35H21N3O.C29H16N2O2.C27H16N2O.C26H15N3O.C25H14N4O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40;1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-15-32(37)33-23-24-39-40(41(33)43)34-16-8-10-18-38(34)44-39;1-3-11-25(12-4-1)31-21-27(22-32(42-31)26-13-5-2-6-14-26)33-23-41-37(24-40-33)43-34-17-9-7-16-30(34)38-35(43)20-19-29-28-15-8-10-18-36(28)44-39(29)38;1-3-11-25(12-4-1)32-21-27(22-33(42-32)26-13-5-2-6-14-26)28-23-40-39(41-24-28)43-34-17-9-7-15-29(34)30-19-20-36-37(38(30)43)31-16-8-10-18-35(31)44-36;1-2-12-22(13-3-1)37-29-20-10-8-18-27(29)36-35(37)38-28-19-9-6-16-25(28)32-33(38)24-15-5-4-14-23(24)31-26-17-7-11-21-30(26)39-34(31)32;1-2-10-18-17(9-1)25-20-12-4-7-15-23(20)32-28(25)26-19-11-3-6-14-22(19)31(27(18)26)29-30-21-13-5-8-16-24(21)33-29;1-2-10-18-17(9-1)24-20-12-4-6-14-22(20)30-27(24)25-19-11-3-5-13-21(19)29(26(18)25)23-15-7-8-16-28-23;1-2-9-17-16(8-1)22-19-11-4-6-13-21(19)30-25(22)23-18-10-3-5-12-20(18)29(24(17)23)26-27-14-7-15-28-26;1-2-8-16-15(7-1)21-18-10-4-6-12-20(18)30-24(21)22-17-9-3-5-11-19(17)29(23(16)22)25-27-13-26-14-28-25/h2*1-26H;2*1-24H;1-21H;1-16H;1-16H;1-15H;1-14H
InChIKeyABFZTIJJKAOHMR-UHFFFAOYSA-N
XLogP78.93
TPSA386.94 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms338
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004334.95
LogP ≤ 578.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 157060209) is 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cn3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-n2c(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1.c1ccc2c(c1)oc1c2c2ccccc2c2c1c1ccccc1n2-c1ncncn1.c1ccc2oc(-n3c4ccccc4c4c5oc6ccccc6c5c5ccccc5c43)nc2c1.c1cnc(-n2c3ccccc3c3c4oc5ccccc5c4c4ccccc4c32)nc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 ABFZTIJJKAOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H26N2O.2C39H24N4O.C35H21N3O.C29H16N2O2.C27H16N2O.C26H15N3O.C25H14N4O/c1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-16-34(37)40-38(43)24-23-33-32-15-8-10-18-39(32)44-41(33)40;1-3-11-27(12-4-1)30-25-35(28-13-5-2-6-14-28)42-36(26-30)29-19-21-31(22-20-29)43-37-17-9-7-15-32(37)33-23-24-39-40(41(33)43)34-16-8-10-18-38(34)44-39;1-3-11-25(12-4-1)31-21-27(22-32(42-31)26-13-5-2-6-14-26)33-23-41-37(24-40-33)43-34-17-9-7-16-30(34)38-35(43)20-19-29-28-15-8-10-18-36(28)44-39(29)38;1-3-11-25(12-4-1)32-21-27(22-33(42-32)26-13-5-2-6-14-26)28-23-40-39(41-24-28)43-34-17-9-7-15-29(34)30-19-20-36-37(38(30)43)31-16-8-10-18-35(31)44-36;1-2-12-22(13-3-1)37-29-20-10-8-18-27(29)36-35(37)38-28-19-9-6-16-25(28)32-33(38)24-15-5-4-14-23(24)31-26-17-7-11-21-30(26)39-34(31)32;1-2-10-18-17(9-1)25-20-12-4-7-15-23(20)32-28(25)26-19-11-3-6-14-22(19)31(27(18)26)29-30-21-13-5-8-16-24(21)33-29;1-2-10-18-17(9-1)24-20-12-4-6-14-22(20)30-27(24)25-19-11-3-5-13-21(19)29(26(18)25)23-15-7-8-16-28-23;1-2-9-17-16(8-1)22-19-11-4-6-13-21(19)30-25(22)23-18-10-3-5-12-20(18)29(24(17)23)26-27-14-7-15-28-26;1-2-8-16-15(7-1)21-18-10-4-6-12-20(18)30-24(21)22-17-9-3-5-11-19(17)29(23(16)22)25-27-13-26-14-28-25/h2*1-26H;2*1-24H;1-21H;1-16H;1-16H;1-15H;1-14H.
What are the key properties of 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 4334.95 g/mol, XLogP of 78.93, 22 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-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;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-[1]benzofuro[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-[1]benzofuro[3,2-a]carbazole;9-(1-phenylbenzimidazol-2-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-pyridin-2-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-pyrimidin-2-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-(1,3,5-triazin-2-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 157060209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).