5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C155H97N13O4 — CID 158191741

IUPAC5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc2c3c(cccc3n1)-c1ccccc1O2.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ncc2c(n1)Oc1cccc3cccc-2c13.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ncc4c(n3)Oc3cccc5cccc-4c35)c21.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6c(n5)Oc5cccc7cccc-6c57)c4c32)cc1
InChIInChI=1S/C42H24N4O.2C39H25N3O.C35H23N3O/c1-2-14-26(15-3-1)45-33-21-8-6-18-30(33)37-27-16-4-5-17-28(27)38-31-19-7-9-22-34(31)46(40(38)39(37)45)42-43-24-32-29-20-10-12-25-13-11-23-35(36(25)29)47-41(32)44-42;1-39(2)28-18-8-5-15-26(28)32-24-13-3-4-14-25(24)33-27-16-6-9-20-30(27)42(36(33)35(32)39)38-40-29-19-11-17-23-22-12-7-10-21-31(22)43-37(41-38)34(23)29;1-39(2)29-18-7-5-15-26(29)33-23-13-3-4-14-24(23)34-27-16-6-8-19-30(27)42(36(34)35(33)39)38-40-21-28-25-17-9-11-22-12-10-20-31(32(22)25)43-37(28)41-38;1-35(2)26-14-5-3-12-24(26)31-27(35)18-17-23-21-11-4-6-15-28(21)38(32(23)31)34-36-19-25-22-13-7-9-20-10-8-16-29(30(20)22)39-33(25)37-34/h1-24H;2*3-21H,1-2H3;3-19H,1-2H3
InChIKeyFZVNFUTWZVELLT-UHFFFAOYSA-N
MW2205.57 g/mol
LogP39.47
Rot. Bonds5

About 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 158191741) has the molecular formula C155H97N13O4 and a molecular weight of 2205.57 g/mol. Its IUPAC name is 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID158191741
Molecular FormulaC155H97N13O4
Molecular Weight2205.57 g/mol
Exact Mass2203.78
IUPAC Name5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc2c3c(cccc3n1)-c1ccccc1O2.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ncc2c(n1)Oc1cccc3cccc-2c13.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ncc4c(n3)Oc3cccc5cccc-4c35)c21.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6c(n5)Oc5cccc7cccc-6c57)c4c32)cc1
InChIInChI=1S/C42H24N4O.2C39H25N3O.C35H23N3O/c1-2-14-26(15-3-1)45-33-21-8-6-18-30(33)37-27-16-4-5-17-28(27)38-31-19-7-9-22-34(31)46(40(38)39(37)45)42-43-24-32-29-20-10-12-25-13-11-23-35(36(25)29)47-41(32)44-42;1-39(2)28-18-8-5-15-26(28)32-24-13-3-4-14-25(24)33-27-16-6-9-20-30(27)42(36(33)35(32)39)38-40-29-19-11-17-23-22-12-7-10-21-31(22)43-37(41-38)34(23)29;1-39(2)29-18-7-5-15-26(29)33-23-13-3-4-14-24(23)34-27-16-6-8-19-30(27)42(36(34)35(33)39)38-40-21-28-25-17-9-11-22-12-10-20-31(32(22)25)43-37(28)41-38;1-35(2)26-14-5-3-12-24(26)31-27(35)18-17-23-21-11-4-6-15-28(21)38(32(23)31)34-36-19-25-22-13-7-9-20-10-8-16-29(30(20)22)39-33(25)37-34/h1-24H;2*3-21H,1-2H3;3-19H,1-2H3
InChIKeyFZVNFUTWZVELLT-UHFFFAOYSA-N
XLogP39.47
TPSA164.69 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.57
LogP ≤ 539.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

25-(4-Fluorophenyl)-4'-[3-[2-[4'-[7-(2-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylquinazolin-4-yl)naphthalen-2-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl]quinolin-4-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 156227618
2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-4,6-dimethyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methoxy-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrazin-2-yl-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157877087
9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
CID 158516879
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;5-phenyl-2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline;9-[4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline
CID 159450050
CID 160947119
CID 160947119
3-methoxy-2-[3-methoxy-5-[(4-methoxy-2-pyridinyl)oxy]benzene-6-id-1-yl]-6-methyl-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-methyl-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;6-methyl-9-(5-methylpyrazin-2-yl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 161817330
2-[4-[3-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(6-tert-butyl-1,1,2,3,3-pentadeuterio-2-phenylinden-5-yl)benzimidazol-2-yl]-5-tert-butylphenol;2-[4-[3-[4-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-[2-deuterio-1,1,3,3-tetramethyl-2-phenyl-6-(trideuteriomethyl)inden-5-yl]benzimidazol-2-yl]phenol;5-tert-butyl-2-[4-[3-tert-butyl-5-[4-(2-deuterio-1,1,3,3-tetramethyl-2-phenylinden-5-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum;platinum(2+);5,5,7,7-tetrafluoro-3-(1H-naphthalen-1-id-2-yl)-6-phenyl-1-[2-[6-(7-phenyl-3H-naphthalen-3-id-2-yl)-2-pyridinyl]propan-2-yl]-6H-cyclopenta[c]pyridine
CID 163759081
CID 176812279
CID 176812279
Tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate
CID 139150818
13,34-Dioxa-1,11,36,46,69-pentaza-53,61-diazoniatetradecacyclo[59.6.1.146,53.155,59.03,12.05,10.014,23.017,22.024,33.025,30.035,44.037,42.047,52.062,67]heptaconta-3,5,7,9,11,14(23),15,17,19,21,24(33),25,27,29,31,35,37,39,41,43,47,49,51,53(70),55,57,59(69),61(68),62,64,66-hentriacontaene
CID 44583254
7-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
CID 140951940
7-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
CID 140952235

Frequently Asked Questions

What is the IUPAC name of 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 158191741) is 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc2c3c(cccc3n1)-c1ccccc1O2.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ncc2c(n1)Oc1cccc3cccc-2c13.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ncc4c(n3)Oc3cccc5cccc-4c35)c21.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6c(n5)Oc5cccc7cccc-6c57)c4c32)cc1.
What is the InChIKey of 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is FZVNFUTWZVELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O.2C39H25N3O.C35H23N3O/c1-2-14-26(15-3-1)45-33-21-8-6-18-30(33)37-27-16-4-5-17-28(27)38-31-19-7-9-22-34(31)46(40(38)39(37)45)42-43-24-32-29-20-10-12-25-13-11-23-35(36(25)29)47-41(32)44-42;1-39(2)28-18-8-5-15-26(28)32-24-13-3-4-14-25(24)33-27-16-6-9-20-30(27)42(36(33)35(32)39)38-40-29-19-11-17-23-22-12-7-10-21-31(22)43-37(41-38)34(23)29;1-39(2)29-18-7-5-15-26(29)33-23-13-3-4-14-24(23)34-27-16-6-8-19-30(27)42(36(34)35(33)39)38-40-21-28-25-17-9-11-22-12-10-20-31(32(22)25)43-37(28)41-38;1-35(2)26-14-5-3-12-24(26)31-27(35)18-17-23-21-11-4-6-15-28(21)38(32(23)31)34-36-19-25-22-13-7-9-20-10-8-16-29(30(20)22)39-33(25)37-34/h1-24H;2*3-21H,1-2H3;3-19H,1-2H3.
What are the key properties of 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 2205.57 g/mol, XLogP of 39.47, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-(24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-3-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 158191741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).