3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene

C241H177N30O2+11 — CID 157144072

IUPAC3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2ccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)N2C=CN(C)C21.Cc1cc(C)[n+]2n1-c1ccc3c4c1C21c2c(cccc2-n2cc(-c5ccc(-c6ccccc6)cc5)c[n+]21)N4c1ccccc1O3.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4cccc2-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21
InChIInChI=1S/C41H31N5O.2C41H31N5.C40H30N5.C39H27N5O.C39H27N5/c1-24-23-25(2)45-41-38-32(14-10-15-33(38)43(24)45)42-31-13-8-9-16-35(31)47-36-22-21-34(39(41)40(36)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(42-33-14-9-8-13-31(33)32-21-22-36(43(24)45)39(41)40(32)42)15-10-16-35(38)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(15-10-16-35(38)43(24)45)42-33-14-9-8-13-31(33)32-21-22-36(39(41)40(32)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-35(28-18-16-27(17-19-28)26-10-5-4-6-11-26)25(2)45-40-36-33(14-9-15-34(36)44(24)45)43-31-13-8-7-12-29(31)30-20-21-32(37(40)38(30)43)42-23-22-41(3)39(40)42;1-24-21-25(2)44-39-36-31(40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26)12-8-13-32(36)42-30-11-6-7-14-34(30)45-35-20-19-33(43(24)44)37(39)38(35)42;1-24-35(28-18-16-27(17-19-28)26-10-4-3-5-11-26)25(2)44-39-36-33(14-8-15-34(36)43(24)44)42-31-13-7-6-12-29(31)30-20-21-32(37(39)38(30)42)40-22-9-23-41(39)40/h5-23H,1-4H3;2*5-23H,1-4H3;4-23,39H,1-3H3;3-23H,1-2H3;3-23H,1-2H3/q3*+2;+1;2*+2
InChIKeyYMSANYFSJYEOJJ-UHFFFAOYSA-N
MW3525.27 g/mol
LogP46.25
Rot. Bonds12

About 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene

3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene (PubChem CID 157144072) has the molecular formula C241H177N30O2+11 and a molecular weight of 3525.27 g/mol. Its IUPAC name is 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene.

Molecular Properties

Compound Name3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene
PubChem CID157144072
Molecular FormulaC241H177N30O2+11
Molecular Weight3525.27 g/mol
Exact Mass3522.46
IUPAC Name3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2ccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)N2C=CN(C)C21.Cc1cc(C)[n+]2n1-c1ccc3c4c1C21c2c(cccc2-n2cc(-c5ccc(-c6ccccc6)cc5)c[n+]21)N4c1ccccc1O3.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4cccc2-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21
InChIInChI=1S/C41H31N5O.2C41H31N5.C40H30N5.C39H27N5O.C39H27N5/c1-24-23-25(2)45-41-38-32(14-10-15-33(38)43(24)45)42-31-13-8-9-16-35(31)47-36-22-21-34(39(41)40(36)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(42-33-14-9-8-13-31(33)32-21-22-36(43(24)45)39(41)40(32)42)15-10-16-35(38)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(15-10-16-35(38)43(24)45)42-33-14-9-8-13-31(33)32-21-22-36(39(41)40(32)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-35(28-18-16-27(17-19-28)26-10-5-4-6-11-26)25(2)45-40-36-33(14-9-15-34(36)44(24)45)43-31-13-8-7-12-29(31)30-20-21-32(37(40)38(30)43)42-23-22-41(3)39(40)42;1-24-21-25(2)44-39-36-31(40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26)12-8-13-32(36)42-30-11-6-7-14-34(30)45-35-20-19-33(43(24)44)37(39)38(35)42;1-24-35(28-18-16-27(17-19-28)26-10-4-3-5-11-26)25(2)44-39-36-33(14-8-15-34(36)43(24)44)42-31-13-7-6-12-29(31)30-20-21-32(37(39)38(30)42)40-22-9-23-41(39)40/h5-23H,1-4H3;2*5-23H,1-4H3;4-23,39H,1-3H3;3-23H,1-2H3;3-23H,1-2H3/q3*+2;+1;2*+2
InChIKeyYMSANYFSJYEOJJ-UHFFFAOYSA-N
XLogP46.25
TPSA148.05 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003525.27
LogP ≤ 546.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene?
The IUPAC name of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene (CID 157144072) is 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene.
What is the SMILES notation for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene?
The canonical SMILES for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene is Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2ccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)N2C=CN(C)C21.Cc1cc(C)[n+]2n1-c1ccc3c4c1C21c2c(cccc2-n2cc(-c5ccc(-c6ccccc6)cc5)c[n+]21)N4c1ccccc1O3.Cc1cc(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4cccc2-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.
What is the InChIKey of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene?
The InChIKey is YMSANYFSJYEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N5O.2C41H31N5.C40H30N5.C39H27N5O.C39H27N5/c1-24-23-25(2)45-41-38-32(14-10-15-33(38)43(24)45)42-31-13-8-9-16-35(31)47-36-22-21-34(39(41)40(36)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(42-33-14-9-8-13-31(33)32-21-22-36(43(24)45)39(41)40(32)42)15-10-16-35(38)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(15-10-16-35(38)43(24)45)42-33-14-9-8-13-31(33)32-21-22-36(39(41)40(32)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-35(28-18-16-27(17-19-28)26-10-5-4-6-11-26)25(2)45-40-36-33(14-9-15-34(36)44(24)45)43-31-13-8-7-12-29(31)30-20-21-32(37(40)38(30)43)42-23-22-41(3)39(40)42;1-24-21-25(2)44-39-36-31(40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26)12-8-13-32(36)42-30-11-6-7-14-34(30)45-35-20-19-33(43(24)44)37(39)38(35)42;1-24-35(28-18-16-27(17-19-28)26-10-4-3-5-11-26)25(2)44-39-36-33(14-8-15-34(36)43(24)44)42-31-13-7-6-12-29(31)30-20-21-32(37(39)38(30)42)40-22-9-23-41(39)40/h5-23H,1-4H3;2*5-23H,1-4H3;4-23,39H,1-3H3;3-23H,1-2H3;3-23H,1-2H3/q3*+2;+1;2*+2.
What are the key properties of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene?
3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene has a molecular weight of 3525.27 g/mol, XLogP of 46.25, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,25,27-tetramethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;3,5,24,26-tetramethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,5,24,26-tetramethyl-25-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene;3,24,26-trimethyl-25-(4-phenylphenyl)-3,6,17,23-tetraza-27-azonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-dodecaene is sourced from PubChem (CID 157144072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).