5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene

C53H50N4O+2 — CID 158227861

About 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene

5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene (PubChem CID 158227861) has the molecular formula C53H50N4O+2 and a molecular weight of 759.01 g/mol. Its IUPAC name is 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene.

Molecular Properties

• Compound Name: 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene
• PubChem CID: 158227861
• Molecular Formula: C53H50N4O+2
• Molecular Weight: 759.01 g/mol
• Exact Mass: 758.40
• IUPAC Name: 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene
• SMILES: CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c(ccc6c5N(c5ccccc5C6(C)C)c5cc(C6CCCCC6)cc([n+]53)-c3cc(C5CCCCC5)cc2[n+]34)O1
• InChI: InChI=1S/C53H50N4O/c1-51(2)35-19-11-13-21-39(35)54-45-29-33(31-15-7-5-8-16-31)27-41-42-28-34(32-17-9-6-10-18-32)30-46-55-40-22-14-12-20-36(40)52(3,4)38-24-26-44-48(50(38)55)53(56(41)45,57(42)46)47-43(58-44)25-23-37(51)49(47)54/h11-14,19-32H,5-10,15-18H2,1-4H3/q+2
• InChIKey: XFTGQFCFGYFYAX-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 23.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.01
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene?

The IUPAC name of 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene (CID 158227861) is 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene.

What is the SMILES notation for 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene?

The canonical SMILES for 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene is CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c(ccc6c5N(c5ccccc5C6(C)C)c5cc(C6CCCCC6)cc([n+]53)-c3cc(C5CCCCC5)cc2[n+]34)O1.

What is the InChIKey of 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene?

The InChIKey is XFTGQFCFGYFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N4O/c1-51(2)35-19-11-13-21-39(35)54-45-29-33(31-15-7-5-8-16-31)27-41-42-28-34(32-17-9-6-10-18-32)30-46-55-40-22-14-12-20-36(40)52(3,4)38-24-26-44-48(50(38)55)53(56(41)45,57(42)46)47-43(58-44)25-23-37(51)49(47)54/h11-14,19-32H,5-10,15-18H2,1-4H3/q+2.

What are the key properties of 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene?

5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene has a molecular weight of 759.01 g/mol, XLogP of 12.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-dicyclohexyl-20,20,30,30-tetramethyl-25-oxa-13,37-diaza-2,42-diazoniadodecacyclo[19.18.2.11,8.02,7.03,37.013,41.014,19.024,40.026,39.029,38.031,36.012,42]dotetraconta-2(7),3,5,8(42),9,11,14,16,18,21(41),22,24(40),26(39),27,29(38),31,33,35-octadecaene is sourced from PubChem (CID 158227861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).