21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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

C177H123N21O5+8 — CID 160651589

IUPAC21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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
SMILESCc1c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4cccnc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4ccncc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1cc(-c2ccccc2)cc(C)c1-c1c[n+]2n(n1)-c1cccc3c1C21c2c(cccc2Oc2cc(C(C)(C)C)cc[n+]21)O3
InChIInChI=1S/C47H31N5O.2C46H30N6O.C38H32N4O2/c1-28-43(30-22-23-34-32-15-6-8-17-36(32)49(39(34)27-30)31-13-4-3-5-14-31)29(2)52-47-44-38(51(28)52)19-12-20-40(44)53-41-25-24-35-33-16-7-9-18-37(33)50(46(35)45(41)47)42-21-10-11-26-48(42)47;1-27-41(29-20-21-32-34-15-11-24-47-45(34)49(37(32)26-29)30-12-4-3-5-13-30)28(2)52-46-42-36(51(27)52)17-10-18-38(42)53-39-23-22-33-31-14-6-7-16-35(31)50(44(33)43(39)46)40-19-8-9-25-48(40)46;1-27-42(29-18-19-32-33-22-23-47-26-38(33)49(37(32)25-29)30-11-4-3-5-12-30)28(2)52-46-43-36(51(27)52)15-10-16-39(43)53-40-21-20-34-31-13-6-7-14-35(31)50(45(34)44(40)46)41-17-8-9-24-48(41)46;1-23-19-26(25-11-7-6-8-12-25)20-24(2)34(23)28-22-41-38-35-29(42(41)39-28)13-9-14-30(35)43-31-15-10-16-32(36(31)38)44-33-21-27(37(3,4)5)17-18-40(33)38/h3-27H,1-2H3;2*3-26H,1-2H3;6-22H,1-5H3/q4*+2
InChIKeyKXKSKFCAYMBZRH-UHFFFAOYSA-N
MW2624.07 g/mol
LogP34.99
Rot. Bonds8

About 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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

21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 160651589) has the molecular formula C177H123N21O5+8 and a molecular weight of 2624.07 g/mol. Its IUPAC name is 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 Name21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 CID160651589
Molecular FormulaC177H123N21O5+8
Molecular Weight2624.07 g/mol
Exact Mass2622.00
IUPAC Name21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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
SMILESCc1c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4cccnc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4ccncc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1cc(-c2ccccc2)cc(C)c1-c1c[n+]2n(n1)-c1cccc3c1C21c2c(cccc2Oc2cc(C(C)(C)C)cc[n+]21)O3
InChIInChI=1S/C47H31N5O.2C46H30N6O.C38H32N4O2/c1-28-43(30-22-23-34-32-15-6-8-17-36(32)49(39(34)27-30)31-13-4-3-5-14-31)29(2)52-47-44-38(51(28)52)19-12-20-40(44)53-41-25-24-35-33-16-7-9-18-37(33)50(46(35)45(41)47)42-21-10-11-26-48(42)47;1-27-41(29-20-21-32-34-15-11-24-47-45(34)49(37(32)26-29)30-12-4-3-5-13-30)28(2)52-46-42-36(51(27)52)17-10-18-38(42)53-39-23-22-33-31-14-6-7-16-35(31)50(44(33)43(39)46)40-19-8-9-25-48(40)46;1-27-42(29-18-19-32-33-22-23-47-26-38(33)49(37(32)25-29)30-11-4-3-5-12-30)28(2)52-46-43-36(51(27)52)15-10-16-39(43)53-40-21-20-34-31-13-6-7-14-35(31)50(45(34)44(40)46)41-17-8-9-24-48(41)46;1-23-19-26(25-11-7-6-8-12-25)20-24(2)34(23)28-22-41-38-35-29(42(41)39-28)13-9-14-30(35)43-31-15-10-16-32(36(31)38)44-33-21-27(37(3,4)5)17-18-40(33)38/h3-27H,1-2H3;2*3-26H,1-2H3;6-22H,1-5H3/q4*+2
InChIKeyKXKSKFCAYMBZRH-UHFFFAOYSA-N
XLogP34.99
TPSA165.16 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002624.07
LogP ≤ 534.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 160651589) is 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 Cc1c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4cccnc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1c(-c2ccc3c4ccncc4n(-c4ccccc4)c3c2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n(c24)-c2cccc[n+]21)O3.Cc1cc(-c2ccccc2)cc(C)c1-c1c[n+]2n(n1)-c1cccc3c1C21c2c(cccc2Oc2cc(C(C)(C)C)cc[n+]21)O3.
What is the InChIKey of 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 KXKSKFCAYMBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5O.2C46H30N6O.C38H32N4O2/c1-28-43(30-22-23-34-32-15-6-8-17-36(32)49(39(34)27-30)31-13-4-3-5-14-31)29(2)52-47-44-38(51(28)52)19-12-20-40(44)53-41-25-24-35-33-16-7-9-18-37(33)50(46(35)45(41)47)42-21-10-11-26-48(42)47;1-27-41(29-20-21-32-34-15-11-24-47-45(34)49(37(32)26-29)30-12-4-3-5-13-30)28(2)52-46-42-36(51(27)52)17-10-18-38(42)53-39-23-22-33-31-14-6-7-16-35(31)50(44(33)43(39)46)40-19-8-9-25-48(40)46;1-27-42(29-18-19-32-33-22-23-47-26-38(33)49(37(32)25-29)30-11-4-3-5-12-30)28(2)52-46-43-36(51(27)52)15-10-16-39(43)53-40-21-20-34-31-13-6-7-14-35(31)50(45(34)44(40)46)41-17-8-9-24-48(41)46;1-23-19-26(25-11-7-6-8-12-25)20-24(2)34(23)28-22-41-38-35-29(42(41)39-28)13-9-14-30(35)43-31-15-10-16-32(36(31)38)44-33-21-27(37(3,4)5)17-18-40(33)38/h3-27H,1-2H3;2*3-26H,1-2H3;6-22H,1-5H3/q4*+2.
What are the key properties of 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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?
21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 2624.07 g/mol, XLogP of 34.99, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 21-tert-butyl-4-(2,6-dimethyl-4-phenylphenyl)-12,18-dioxa-5,6-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19(24),20,22-undecaene;3,5-dimethyl-4-(9-phenylcarbazol-2-yl)-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-(9-phenylpyrido[2,3-b]indol-7-yl)-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-(9-phenylpyrido[3,4-b]indol-7-yl)-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 160651589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).