19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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

C34H35N6+ — CID 166029807

About 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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

19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 166029807) has the molecular formula C34H35N6+ and a molecular weight of 527.70 g/mol. Its IUPAC name is 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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: 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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: 166029807
• Molecular Formula: C34H35N6+
• Molecular Weight: 527.70 g/mol
• Exact Mass: 527.29
• IUPAC Name: 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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: Cc1cc2c3ncccc3n3c4cc(-c5nc(C(C)(C)C)nc(C(C)(C)C)n5)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C34H35N6/c1-18-15-22-27-23(11-10-13-35-27)40-24-17-21(30-36-31(33(3,4)5)38-32(37-30)34(6,7)8)16-20-12-14-39(9)29(26(20)24)25(19(18)2)28(22)40/h10-17H,1-9H3/q+1
• InChIKey: KQVDXQBNUCPZRI-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 59.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.70
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 166029807) is 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 Cc1cc2c3ncccc3n3c4cc(-c5nc(C(C)(C)C)nc(C(C)(C)C)n5)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 KQVDXQBNUCPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N6/c1-18-15-22-27-23(11-10-13-35-27)40-24-17-21(30-36-31(33(3,4)5)38-32(37-30)34(6,7)8)16-20-12-14-39(9)29(26(20)24)25(19(18)2)28(22)40/h10-17H,1-9H3/q+1.

What are the key properties of 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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?

19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 527.70 g/mol, XLogP of 7.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-10,11,14-trimethyl-1,6-diaza-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 166029807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).