trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane

C29H31GeN2+ — CID 166029746

About trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane

trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane (PubChem CID 166029746) has the molecular formula C29H31GeN2+ and a molecular weight of 480.19 g/mol. Its IUPAC name is trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane.

Molecular Properties

• Compound Name: trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane
• PubChem CID: 166029746
• Molecular Formula: C29H31GeN2+
• Molecular Weight: 480.19 g/mol
• Exact Mass: 481.17
• IUPAC Name: trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane
• SMILES: Cc1cc2c3cc(C)c(C)c4c3n(c2cc1C)c1cc([Ge](C)(C)C)cc2cc[n+](C)c4c21
• InChI: InChI=1S/C29H31GeN2/c1-16-11-22-23-12-18(3)19(4)26-28(23)32(24(22)13-17(16)2)25-15-21(30(5,6)7)14-20-9-10-31(8)29(26)27(20)25/h9-15H,1-8H3/q+1
• InChIKey: BCKUYYJDCPOPJB-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.19
LogP ≤ 5	6.59
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 trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane?

The IUPAC name of trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane (CID 166029746) is trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane.

What is the SMILES notation for trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane?

The canonical SMILES for trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane is Cc1cc2c3cc(C)c(C)c4c3n(c2cc1C)c1cc([Ge](C)(C)C)cc2cc[n+](C)c4c21.

What is the InChIKey of trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane?

The InChIKey is BCKUYYJDCPOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31GeN2/c1-16-11-22-23-12-18(3)19(4)26-28(23)32(24(22)13-17(16)2)25-15-21(30(5,6)7)14-20-9-10-31(8)29(26)27(20)25/h9-15H,1-8H3/q+1.

What are the key properties of trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane?

trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane has a molecular weight of 480.19 g/mol, XLogP of 6.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(4,5,10,11,14-pentamethyl-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)-undecaen-19-yl)germane is sourced from PubChem (CID 166029746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).