3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

C41H45N2+ — CID 166029416

About 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (PubChem CID 166029416) has the molecular formula C41H45N2+ and a molecular weight of 565.83 g/mol. Its IUPAC name is 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• PubChem CID: 166029416
• Molecular Formula: C41H45N2+
• Molecular Weight: 565.83 g/mol
• Exact Mass: 565.36
• IUPAC Name: 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• SMILES: Cc1cc2c3c(C)ccc(C)c3n3c4cc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C41H45N2/c1-21(2)29-18-31(22(3)4)37(32(19-29)23(5)6)30-17-28-14-15-42(11)41-36-27(10)26(9)16-33-35-24(7)12-13-25(8)39(35)43(40(33)36)34(20-30)38(28)41/h12-23H,1-11H3/q+1
• InChIKey: TUXWJTHRRXLHEH-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.83
LogP ≤ 5	11.09
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 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The IUPAC name of 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (CID 166029416) is 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

What is the SMILES notation for 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The canonical SMILES for 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is Cc1cc2c3c(C)ccc(C)c3n3c4cc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The InChIKey is TUXWJTHRRXLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N2/c1-21(2)29-18-31(22(3)4)37(32(19-29)23(5)6)30-17-28-14-15-42(11)41-36-27(10)26(9)16-33-35-24(7)12-13-25(8)39(35)43(40(33)36)34(20-30)38(28)41/h12-23H,1-11H3/q+1.

What are the key properties of 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene has a molecular weight of 565.83 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6,10,11,14-pentamethyl-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-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 166029416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).