4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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

C166H116N16O4+8 — CID 157281938

IUPAC4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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(-c2ccccc2)cc(C)c1-c1c(C)cc2c3c1Oc1ccc4c5ccccc5n5c4c1C3([n+]1ccccc1-5)[n+]1cccn1-2.Cc1cc(-c2ccccc2)cc(C)c1-c1cc2c3c(c1)-n1ccc[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.Cc1ccc(-c2ccccc2)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cn2[n+](c1-c1cccc(-c3ccccc3)c1)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13
InChIInChI=1S/C43H32N4O.C42H30N4O.C41H28N4O.C40H26N4O/c1-25-20-21-30(29-13-6-5-7-14-29)26(2)38(25)39-27(3)46-34-17-12-18-35-40(34)43(47(46)28(39)4)41-36(48-35)23-22-32-31-15-8-9-16-33(31)45(42(32)41)37-19-10-11-24-44(37)43;1-25-22-29(28-12-5-4-6-13-28)23-26(2)36(25)37-27(3)24-33-38-41(37)47-34-18-17-31-30-14-7-8-15-32(30)46-35-16-9-10-19-43(35)42(38,39(34)40(31)46)45-21-11-20-44(33)45;1-25-21-28(27-11-4-3-5-12-27)22-26(2)37(25)29-23-33-38-35(24-29)46-34-17-16-31-30-13-6-7-14-32(30)45-36-15-8-9-18-42(36)41(38,39(34)40(31)45)44-20-10-19-43(33)44;1-25-24-42-32-17-10-18-33-36(32)40(44(42)38(25)28-14-9-13-27(23-28)26-11-3-2-4-12-26)37-34(45-33)21-20-30-29-15-5-6-16-31(29)43(39(30)37)35-19-7-8-22-41(35)40/h5-24H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;2-24H,1H3/q4*+2
InChIKeyUKHFTZQGTZMPGQ-UHFFFAOYSA-N
MW2398.86 g/mol
LogP33.14
Rot. Bonds8

About 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 157281938) has the molecular formula C166H116N16O4+8 and a molecular weight of 2398.86 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 Name4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 CID157281938
Molecular FormulaC166H116N16O4+8
Molecular Weight2398.86 g/mol
Exact Mass2396.93
IUPAC Name4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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(-c2ccccc2)cc(C)c1-c1c(C)cc2c3c1Oc1ccc4c5ccccc5n5c4c1C3([n+]1ccccc1-5)[n+]1cccn1-2.Cc1cc(-c2ccccc2)cc(C)c1-c1cc2c3c(c1)-n1ccc[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.Cc1ccc(-c2ccccc2)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cn2[n+](c1-c1cccc(-c3ccccc3)c1)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13
InChIInChI=1S/C43H32N4O.C42H30N4O.C41H28N4O.C40H26N4O/c1-25-20-21-30(29-13-6-5-7-14-29)26(2)38(25)39-27(3)46-34-17-12-18-35-40(34)43(47(46)28(39)4)41-36(48-35)23-22-32-31-15-8-9-16-33(31)45(42(32)41)37-19-10-11-24-44(37)43;1-25-22-29(28-12-5-4-6-13-28)23-26(2)36(25)37-27(3)24-33-38-41(37)47-34-18-17-31-30-14-7-8-15-32(30)46-35-16-9-10-19-43(35)42(38,39(34)40(31)46)45-21-11-20-44(33)45;1-25-21-28(27-11-4-3-5-12-27)22-26(2)37(25)29-23-33-38-35(24-29)46-34-17-16-31-30-13-6-7-14-32(30)45-36-15-8-9-18-42(36)41(38,39(34)40(31)45)44-20-10-19-43(33)44;1-25-24-42-32-17-10-18-33-36(32)40(44(42)38(25)28-14-9-13-27(23-28)26-11-3-2-4-12-26)37-34(45-33)21-20-30-29-15-5-6-16-31(29)43(39(30)37)35-19-7-8-22-41(35)40/h5-24H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;2-24H,1H3/q4*+2
InChIKeyUKHFTZQGTZMPGQ-UHFFFAOYSA-N
XLogP33.14
TPSA107.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.86
LogP ≤ 533.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 157281938) is 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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(-c2ccccc2)cc(C)c1-c1c(C)cc2c3c1Oc1ccc4c5ccccc5n5c4c1C3([n+]1ccccc1-5)[n+]1cccn1-2.Cc1cc(-c2ccccc2)cc(C)c1-c1cc2c3c(c1)-n1ccc[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.Cc1ccc(-c2ccccc2)c(C)c1-c1c(C)n2[n+](c1C)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.Cc1cn2[n+](c1-c1cccc(-c3ccccc3)c1)C13c4c(cccc4-2)Oc2ccc4c5ccccc5n(c4c21)-c1cccc[n+]13.
What is the InChIKey of 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 UKHFTZQGTZMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O.C42H30N4O.C41H28N4O.C40H26N4O/c1-25-20-21-30(29-13-6-5-7-14-29)26(2)38(25)39-27(3)46-34-17-12-18-35-40(34)43(47(46)28(39)4)41-36(48-35)23-22-32-31-15-8-9-16-33(31)45(42(32)41)37-19-10-11-24-44(37)43;1-25-22-29(28-12-5-4-6-13-28)23-26(2)36(25)37-27(3)24-33-38-41(37)47-34-18-17-31-30-14-7-8-15-32(30)46-35-16-9-10-19-43(35)42(38,39(34)40(31)46)45-21-11-20-44(33)45;1-25-21-28(27-11-4-3-5-12-27)22-26(2)37(25)29-23-33-38-35(24-29)46-34-17-16-31-30-13-6-7-14-32(30)45-36-15-8-9-18-42(36)41(38,39(34)40(31)45)44-20-10-19-43(33)44;1-25-24-42-32-17-10-18-33-36(32)40(44(42)38(25)28-14-9-13-27(23-28)26-11-3-2-4-12-26)37-34(45-33)21-20-30-29-15-5-6-16-31(29)43(39(30)37)35-19-7-8-22-41(35)40/h5-24H,1-4H3;4-24H,1-3H3;3-24H,1-2H3;2-24H,1H3/q4*+2.
What are the key properties of 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 2398.86 g/mol, XLogP of 33.14, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-phenylphenyl)-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;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-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;9-(2,6-dimethyl-4-phenylphenyl)-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-methyl-3-(3-phenylphenyl)-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 157281938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).