trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane

C29H28GeNO+ — CID 168733077

About trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane

trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane (PubChem CID 168733077) has the molecular formula C29H28GeNO+ and a molecular weight of 479.16 g/mol. Its IUPAC name is trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane.

Molecular Properties

• Compound Name: trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane
• PubChem CID: 168733077
• Molecular Formula: C29H28GeNO+
• Molecular Weight: 479.16 g/mol
• Exact Mass: 480.14
• IUPAC Name: trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane
• SMILES: Cc1c2c(c(C)c3ccccc13)-c1c3c(cc4cc([Ge](C)(C)C)ccc4c3cc[n+]1C)O2
• InChI: InChI=1S/C29H28GeNO/c1-17-21-9-7-8-10-22(21)18(2)29-26(17)28-27-24(13-14-31(28)6)23-12-11-20(30(3,4)5)15-19(23)16-25(27)32-29/h7-16H,1-6H3/q+1
• InChIKey: MMHKZZDWUVRXOK-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.16
LogP ≤ 5	6.91
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-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane?

The IUPAC name of trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane (CID 168733077) is trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane.

What is the SMILES notation for trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane?

The canonical SMILES for trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane is Cc1c2c(c(C)c3ccccc13)-c1c3c(cc4cc([Ge](C)(C)C)ccc4c3cc[n+]1C)O2.

What is the InChIKey of trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane?

The InChIKey is MMHKZZDWUVRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28GeNO/c1-17-21-9-7-8-10-22(21)18(2)29-26(17)28-27-24(13-14-31(28)6)23-12-11-20(30(3,4)5)15-19(23)16-25(27)32-29/h7-16H,1-6H3/q+1.

What are the key properties of trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane?

trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane has a molecular weight of 479.16 g/mol, XLogP of 6.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(3,10,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaen-17-yl)germane is sourced from PubChem (CID 168733077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).