8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene

C64H56N2O2 — CID 163926050

About 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene

8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene (PubChem CID 163926050) has the molecular formula C64H56N2O2 and a molecular weight of 885.16 g/mol. Its IUPAC name is 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene.

Molecular Properties

• Compound Name: 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene
• PubChem CID: 163926050
• Molecular Formula: C64H56N2O2
• Molecular Weight: 885.16 g/mol
• Exact Mass: 884.43
• IUPAC Name: 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene
• SMILES: CCCCc1ccc(N2c3cc4ccccc4cc3C(C)(C)c3c2ccc2c3oc3cc4c(cc32)oc2c3c(ccc24)N(c2ccc(CCCC)cc2)c2cc4ccccc4cc2C3(C)C)cc1
• InChI: InChI=1S/C64H56N2O2/c1-7-9-15-39-21-25-45(26-22-39)65-53-31-29-47-49-37-58-50(38-57(49)67-61(47)59(53)63(3,4)51-33-41-17-11-13-19-43(41)35-55(51)65)48-30-32-54-60(62(48)68-58)64(5,6)52-34-42-18-12-14-20-44(42)36-56(52)66(54)46-27-23-40(24-28-46)16-10-8-2/h11-14,17-38H,7-10,15-16H2,1-6H3
• InChIKey: REOLQSJSYREGOM-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.16
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene?

The IUPAC name of 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene (CID 163926050) is 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene.

What is the SMILES notation for 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene?

The canonical SMILES for 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene is CCCCc1ccc(N2c3cc4ccccc4cc3C(C)(C)c3c2ccc2c3oc3cc4c(cc32)oc2c3c(ccc24)N(c2ccc(CCCC)cc2)c2cc4ccccc4cc2C3(C)C)cc1.

What is the InChIKey of 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene?

The InChIKey is REOLQSJSYREGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O2/c1-7-9-15-39-21-25-45(26-22-39)65-53-31-29-47-49-37-58-50(38-57(49)67-61(47)59(53)63(3,4)51-33-41-17-11-13-19-43(41)35-55(51)65)48-30-32-54-60(62(48)68-58)64(5,6)52-34-42-18-12-14-20-44(42)36-56(52)66(54)46-27-23-40(24-28-46)16-10-8-2/h11-14,17-38H,7-10,15-16H2,1-6H3.

What are the key properties of 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene?

8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene has a molecular weight of 885.16 g/mol, XLogP of 18.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,30-bis(4-butylphenyl)-19,19,41,41-tetramethyl-22,44-dioxa-8,30-diazaundecacyclo[23.19.0.03,23.04,21.07,20.09,18.011,16.026,43.029,42.031,40.033,38]tetratetraconta-1(25),2,4(21),5,7(20),9,11,13,15,17,23,26(43),27,29(42),31,33,35,37,39-nonadecaene is sourced from PubChem (CID 163926050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).