3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

C121H86N18O3+6 — CID 157275100

IUPAC3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCc1cc(-c2ccccn2)nc(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2cccnc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2ccncc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13
InChIInChI=1S/C41H30N6O.2C40H28N6O/c1-23-22-30(29-13-7-9-20-42-29)43-24(2)36(23)37-25(3)46-32-15-11-16-33-38(32)41(47(46)26(37)4)39-34(48-33)19-18-28-27-12-5-6-14-31(27)45(40(28)39)35-17-8-10-21-44(35)41;1-23-20-27(26-10-9-18-41-21-26)22-42-38(23)35-24(2)45-31-13-8-14-32-36(31)40(46(45)25(35)3)37-33(47-32)17-16-29-28-11-4-5-12-30(28)44(39(29)37)34-15-6-7-19-43(34)40;1-23-21-27(26-16-18-41-19-17-26)22-42-38(23)35-24(2)45-31-11-8-12-32-36(31)40(46(45)25(35)3)37-33(47-32)15-14-29-28-9-4-5-10-30(28)44(39(29)37)34-13-6-7-20-43(34)40/h5-22H,1-4H3;2*4-22H,1-3H3/q3*+2
InChIKeyCMOYVUZYSIMWCA-UHFFFAOYSA-N
MW1840.14 g/mol
LogP22.00
Rot. Bonds6

About 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (PubChem CID 157275100) has the molecular formula C121H86N18O3+6 and a molecular weight of 1840.14 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
PubChem CID157275100
Molecular FormulaC121H86N18O3+6
Molecular Weight1840.14 g/mol
Exact Mass1838.71
IUPAC Name3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
SMILESCc1cc(-c2ccccn2)nc(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2cccnc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2ccncc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13
InChIInChI=1S/C41H30N6O.2C40H28N6O/c1-23-22-30(29-13-7-9-20-42-29)43-24(2)36(23)37-25(3)46-32-15-11-16-33-38(32)41(47(46)26(37)4)39-34(48-33)19-18-28-27-12-5-6-14-31(27)45(40(28)39)35-17-8-10-21-44(35)41;1-23-20-27(26-10-9-18-41-21-26)22-42-38(23)35-24(2)45-31-13-8-14-32-36(31)40(46(45)25(35)3)37-33(47-32)17-16-29-28-11-4-5-12-30(28)44(39(29)37)34-15-6-7-19-43(34)40;1-23-21-27(26-16-18-41-19-17-26)22-42-38(23)35-24(2)45-31-11-8-12-32-36(31)40(46(45)25(35)3)37-33(47-32)15-14-29-28-9-4-5-10-30(28)44(39(29)37)34-13-6-7-20-43(34)40/h5-22H,1-4H3;2*4-22H,1-3H3/q3*+2
InChIKeyCMOYVUZYSIMWCA-UHFFFAOYSA-N
XLogP22.00
TPSA157.89 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.14
LogP ≤ 522.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene with MolForge

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Related Compounds

CID 157070759
CID 157070759
6-(4-Fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline
CID 157351998
CID 157359930
CID 157359930
CID 157757722
CID 157757722
tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide
CID 157769761
bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);bis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tris(iridium(3+));bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 158215701
2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide);bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158438915
CID 158602456
CID 158602456
4-tert-butyl-2-(6-fluoro-3H-pyridin-3-id-2-yl)-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;6-methyl-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-phenoxy-2-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-6-[6-(trifluoromethyl)-3H-pyridin-3-id-2-yl]pyridine;4-[6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;4-[6-[2-(1-phenyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;1-phenyl-3-[2-[6-[6-(trifluoromethyl)-3H-pyridin-3-id-2-yl]-2-pyridinyl]propan-2-yl]indazole;hexakis(platinum(2+))
CID 158642306
CID 159349587
CID 159349587
CID 160030552
CID 160030552
N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;hexakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4,5-tetrazin-3-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1H-carbazol-1-ide;2-(3-pyrimidin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4,5-tetrazin-3-yl)-1H-carbazol-1-ide;9-(1,2,4,5-tetrazin-3-yl)-2-[3-(1,2,4,5-tetrazin-3-yloxy)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(1,2,4,5-tetrazin-3-yl)-2-[3-(1,2,4-triazin-3-yloxy)benzene-2-id-1-yl]-1H-carbazol-1-ide
CID 160259054

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The IUPAC name of 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (CID 157275100) is 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is Cc1cc(-c2ccccn2)nc(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2cccnc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cc(-c2ccncc2)cnc1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.
What is the InChIKey of 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
The InChIKey is CMOYVUZYSIMWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N6O.2C40H28N6O/c1-23-22-30(29-13-7-9-20-42-29)43-24(2)36(23)37-25(3)46-32-15-11-16-33-38(32)41(47(46)26(37)4)39-34(48-33)19-18-28-27-12-5-6-14-31(27)45(40(28)39)35-17-8-10-21-44(35)41;1-23-20-27(26-10-9-18-41-21-26)22-42-38(23)35-24(2)45-31-13-8-14-32-36(31)40(46(45)25(35)3)37-33(47-32)17-16-29-28-11-4-5-12-30(28)44(39(29)37)34-15-6-7-19-43(34)40;1-23-21-27(26-16-18-41-19-17-26)22-42-38(23)35-24(2)45-31-11-8-12-32-36(31)40(46(45)25(35)3)37-33(47-32)15-14-29-28-9-4-5-10-30(28)44(39(29)37)34-13-6-7-20-43(34)40/h5-22H,1-4H3;2*4-22H,1-3H3/q3*+2.
What are the key properties of 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?
3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene has a molecular weight of 1840.14 g/mol, XLogP of 22.00, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-methyl-5-pyridin-3-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;3,5-dimethyl-4-(3-methyl-5-pyridin-4-yl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-(2,4-dimethyl-6-pyridin-2-yl-3-pyridinyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 157275100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).