10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene

C43H49N2+ — CID 166029899

About 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene

10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene (PubChem CID 166029899) has the molecular formula C43H49N2+ and a molecular weight of 593.88 g/mol. Its IUPAC name is 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene
• PubChem CID: 166029899
• Molecular Formula: C43H49N2+
• Molecular Weight: 593.88 g/mol
• Exact Mass: 593.39
• IUPAC Name: 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene
• SMILES: Cc1cc2c3cc(CC(C)C)ccc3n3c4cc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C43H49N2/c1-23(2)16-29-12-13-37-35(18-29)36-17-27(9)28(10)39-42(36)45(37)38-22-32(19-30-14-15-44(11)43(39)41(30)38)40-33(25(5)6)20-31(24(3)4)21-34(40)26(7)8/h12-15,17-26H,16H2,1-11H3/q+1
• InChIKey: WBYFVMCCEKSEGS-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.88
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene?

The IUPAC name of 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene (CID 166029899) is 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene.

What is the SMILES notation for 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene?

The canonical SMILES for 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene is Cc1cc2c3cc(CC(C)C)ccc3n3c4cc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene?

The InChIKey is WBYFVMCCEKSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N2/c1-23(2)16-29-12-13-37-35(18-29)36-17-27(9)28(10)39-42(36)45(37)38-22-32(19-30-14-15-44(11)43(39)41(30)38)40-33(25(5)6)20-31(24(3)4)21-34(40)26(7)8/h12-15,17-26H,16H2,1-11H3/q+1.

What are the key properties of 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene?

10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene has a molecular weight of 593.88 g/mol, XLogP of 11.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10,11,14-trimethyl-5-(2-methylpropyl)-19-[2,4,6-tri(propan-2-yl)phenyl]-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 166029899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).