7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene

C178H112N24O5+10 — CID 157199184

IUPAC7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nccnc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1cn2c3c4c5c(ccc4c4cnncc4[n+]13)Oc1cccc3c1C52[n+]1ccccc1-3
InChIInChI=1S/C38H24N4O.2C37H23N5O.2C33H21N5O/c1-21-9-7-10-22(2)32(21)29-20-41-37-33-25(36-28(42(29)37)19-23-11-3-4-13-26(23)39-36)16-17-31-35(33)38(41)34-24(12-8-15-30(34)43-31)27-14-5-6-18-40(27)38;1-20-8-5-9-21(2)30(20)27-19-41-36-31-24(34-26(42(27)36)18-22-10-7-16-38-35(22)39-34)14-15-29-33(31)37(41)32-23(11-6-13-28(32)43-29)25-12-3-4-17-40(25)37;1-20-9-7-10-21(2)30(20)27-19-41-36-31-23(34-35(42(27)36)39-25-13-4-3-12-24(25)38-34)16-17-29-33(31)37(41)32-22(11-8-15-28(32)43-29)26-14-5-6-18-40(26)37;1-18-7-5-8-19(2)26(18)23-17-37-32-27-21(30-31(38(23)32)35-15-14-34-30)12-13-25-29(27)33(37)28-20(9-6-11-24(28)39-25)22-10-3-4-16-36(22)33;1-18-7-5-8-19(2)28(18)25-17-37-32-29-20(22-15-34-35-16-24(22)38(25)32)12-13-27-31(29)33(37)30-21(9-6-11-26(30)39-27)23-10-3-4-14-36(23)33/h3-20H,1-2H3;2*3-19H,1-2H3;2*3-17H,1-2H3/q5*+2
InChIKeyGDUCDVLIVSWIHV-UHFFFAOYSA-N
MW2667.02 g/mol
LogP32.02
Rot. Bonds5

About 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene

7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene (PubChem CID 157199184) has the molecular formula C178H112N24O5+10 and a molecular weight of 2667.02 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene
PubChem CID157199184
Molecular FormulaC178H112N24O5+10
Molecular Weight2667.02 g/mol
Exact Mass2664.92
IUPAC Name7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene
SMILESCc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nccnc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1cn2c3c4c5c(ccc4c4cnncc4[n+]13)Oc1cccc3c1C52[n+]1ccccc1-3
InChIInChI=1S/C38H24N4O.2C37H23N5O.2C33H21N5O/c1-21-9-7-10-22(2)32(21)29-20-41-37-33-25(36-28(42(29)37)19-23-11-3-4-13-26(23)39-36)16-17-31-35(33)38(41)34-24(12-8-15-30(34)43-31)27-14-5-6-18-40(27)38;1-20-8-5-9-21(2)30(20)27-19-41-36-31-24(34-26(42(27)36)18-22-10-7-16-38-35(22)39-34)14-15-29-33(31)37(41)32-23(11-6-13-28(32)43-29)25-12-3-4-17-40(25)37;1-20-9-7-10-21(2)30(20)27-19-41-36-31-23(34-35(42(27)36)39-25-13-4-3-12-24(25)38-34)16-17-29-33(31)37(41)32-22(11-8-15-28(32)43-29)26-14-5-6-18-40(26)37;1-18-7-5-8-19(2)26(18)23-17-37-32-27-21(30-31(38(23)32)35-15-14-34-30)12-13-25-29(27)33(37)28-20(9-6-11-24(28)39-25)22-10-3-4-16-36(22)33;1-18-7-5-8-19(2)28(18)25-17-37-32-29-20(22-15-34-35-16-24(22)38(25)32)12-13-27-31(29)33(37)30-21(9-6-11-26(30)39-27)23-10-3-4-14-36(23)33/h3-20H,1-2H3;2*3-19H,1-2H3;2*3-17H,1-2H3/q5*+2
InChIKeyGDUCDVLIVSWIHV-UHFFFAOYSA-N
XLogP32.02
TPSA223.75 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds5
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002667.02
LogP ≤ 532.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene?
The IUPAC name of 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene (CID 157199184) is 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene?
The canonical SMILES for 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene is Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ccccc6nc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nc6ncccc6cc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nccnc4n13)Oc1cccc3c1C52[n+]1ccccc1-3.Cc1cccc(C)c1-c1cn2c3c4c5c(ccc4c4cnncc4[n+]13)Oc1cccc3c1C52[n+]1ccccc1-3.
What is the InChIKey of 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene?
The InChIKey is GDUCDVLIVSWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O.2C37H23N5O.2C33H21N5O/c1-21-9-7-10-22(2)32(21)29-20-41-37-33-25(36-28(42(29)37)19-23-11-3-4-13-26(23)39-36)16-17-31-35(33)38(41)34-24(12-8-15-30(34)43-31)27-14-5-6-18-40(27)38;1-20-8-5-9-21(2)30(20)27-19-41-36-31-24(34-26(42(27)36)18-22-10-7-16-38-35(22)39-34)14-15-29-33(31)37(41)32-23(11-6-13-28(32)43-29)25-12-3-4-17-40(25)37;1-20-9-7-10-21(2)30(20)27-19-41-36-31-23(34-35(42(27)36)39-25-13-4-3-12-24(25)38-34)16-17-29-33(31)37(41)32-22(11-8-15-28(32)43-29)26-14-5-6-18-40(26)37;1-18-7-5-8-19(2)26(18)23-17-37-32-27-21(30-31(38(23)32)35-15-14-34-30)12-13-25-29(27)33(37)28-20(9-6-11-24(28)39-25)22-10-3-4-16-36(22)33;1-18-7-5-8-19(2)28(18)25-17-37-32-29-20(22-15-34-35-16-24(22)38(25)32)12-13-27-31(29)33(37)30-21(9-6-11-26(30)39-27)23-10-3-4-14-36(23)33/h3-20H,1-2H3;2*3-19H,1-2H3;2*3-17H,1-2H3/q5*+2.
What are the key properties of 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene?
7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene has a molecular weight of 2667.02 g/mol, XLogP of 32.02, 5 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-23-oxa-8,17-diaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,10,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-23-oxa-8,15,17-triaza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9(18),10,12,14,16,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-5,11,12-triaza-8,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4(8),6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-19-oxa-8,10,13-triaza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene is sourced from PubChem (CID 157199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).