31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene

C41H35N3O2+2 — CID 162248432

About 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene

31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene (PubChem CID 162248432) has the molecular formula C41H35N3O2+2 and a molecular weight of 601.75 g/mol. Its IUPAC name is 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene
• PubChem CID: 162248432
• Molecular Formula: C41H35N3O2+2
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.27
• IUPAC Name: 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene
• SMILES: CC1(C)c2cccc3c2N2c4c1ccc1c4C45c6c(cccc6Oc6cc(C7CCCCC7)cc([n+]64)-c4ccc(c2[n+]45)C3(C)C)O1
• InChI: InChI=1S/C41H35N3O2/c1-39(2)24-12-8-13-25-36(24)42-37-26(39)17-19-32-35(37)41-34-30(45-32)14-9-15-31(34)46-33-21-23(22-10-6-5-7-11-22)20-29(43(33)41)28-18-16-27(40(25,3)4)38(42)44(28)41/h8-9,12-22H,5-7,10-11H2,1-4H3/q+2
• InChIKey: GYVMDSCXAYOXQC-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 29.46 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	8.86
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 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene?

The IUPAC name of 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene (CID 162248432) is 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene.

What is the SMILES notation for 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene?

The canonical SMILES for 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene is CC1(C)c2cccc3c2N2c4c1ccc1c4C45c6c(cccc6Oc6cc(C7CCCCC7)cc([n+]64)-c4ccc(c2[n+]45)C3(C)C)O1.

What is the InChIKey of 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene?

The InChIKey is GYVMDSCXAYOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N3O2/c1-39(2)24-12-8-13-25-36(24)42-37-26(39)17-19-32-35(37)41-34-30(45-32)14-9-15-31(34)46-33-21-23(22-10-6-5-7-11-22)20-29(43(33)41)28-18-16-27(40(25,3)4)38(42)44(28)41/h8-9,12-22H,5-7,10-11H2,1-4H3/q+2.

What are the key properties of 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene?

31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene has a molecular weight of 601.75 g/mol, XLogP of 8.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 31-cyclohexyl-11,11,17,17-tetramethyl-22,28-dioxa-4-aza-6,34-diazoniaundecacyclo[21.11.1.14,12.01,6.02,21.03,18.05,10.07,33.027,35.029,34.016,36]hexatriaconta-2(21),3(18),5(10),6,8,12,14,16(36),19,23(35),24,26,29,31,33-pentadecaene is sourced from PubChem (CID 162248432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).