trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane

C33H36GeNO+ — CID 168733173

About trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane

trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane (PubChem CID 168733173) has the molecular formula C33H36GeNO+ and a molecular weight of 535.27 g/mol. Its IUPAC name is trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane.

Molecular Properties

• Compound Name: trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane
• PubChem CID: 168733173
• Molecular Formula: C33H36GeNO+
• Molecular Weight: 535.27 g/mol
• Exact Mass: 536.20
• IUPAC Name: trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane
• SMILES: Cc1ccc2c(CC(C)C)c3c(c(C)c2c1)-c1c2c(cc4ccc([Ge](C)(C)C)cc4c2cc[n+]1C)O3
• InChI: InChI=1S/C33H36GeNO/c1-19(2)15-28-24-12-9-20(3)16-26(24)21(4)30-32-31-25(13-14-35(32)8)27-18-23(34(5,6)7)11-10-22(27)17-29(31)36-33(28)30/h9-14,16-19H,15H2,1-8H3/q+1
• InChIKey: NBSILKNDNDIRAM-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.27
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'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-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane?

The IUPAC name of trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane (CID 168733173) is trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane.

What is the SMILES notation for trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane?

The canonical SMILES for trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane is Cc1ccc2c(CC(C)C)c3c(c(C)c2c1)-c1c2c(cc4ccc([Ge](C)(C)C)cc4c2cc[n+]1C)O3.

What is the InChIKey of trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane?

The InChIKey is NBSILKNDNDIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36GeNO/c1-19(2)15-28-24-12-9-20(3)16-26(24)21(4)30-32-31-25(13-14-35(32)8)27-18-23(34(5,6)7)11-10-22(27)17-29(31)36-33(28)30/h9-14,16-19H,15H2,1-8H3/q+1.

What are the key properties of trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane?

trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane has a molecular weight of 535.27 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-18-yl]germane is sourced from PubChem (CID 168733173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).