trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane

C30H30GeNS+ — CID 168733791

About trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane

trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane (PubChem CID 168733791) has the molecular formula C30H30GeNS+ and a molecular weight of 509.25 g/mol. Its IUPAC name is trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane.

Molecular Properties

• Compound Name: trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane
• PubChem CID: 168733791
• Molecular Formula: C30H30GeNS+
• Molecular Weight: 509.25 g/mol
• Exact Mass: 510.13
• IUPAC Name: trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane
• SMILES: Cc1ccc2c(C)c3c(c(C)c2c1)-c1c2c(cc4cc([Ge](C)(C)C)ccc4c2cc[n+]1C)S3
• InChI: InChI=1S/C30H30GeNS/c1-17-8-10-22-19(3)30-27(18(2)25(22)14-17)29-28-24(12-13-32(29)7)23-11-9-21(31(4,5)6)15-20(23)16-26(28)33-30/h8-16H,1-7H3/q+1
• InChIKey: AHAJPMFFKRSUGB-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 3.88 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.25
LogP ≤ 5	7.57
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-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane?

The IUPAC name of trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane (CID 168733791) is trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane.

What is the SMILES notation for trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane?

The canonical SMILES for trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane is Cc1ccc2c(C)c3c(c(C)c2c1)-c1c2c(cc4cc([Ge](C)(C)C)ccc4c2cc[n+]1C)S3.

What is the InChIKey of trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane?

The InChIKey is AHAJPMFFKRSUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30GeNS/c1-17-8-10-22-19(3)30-27(18(2)25(22)14-17)29-28-24(12-13-32(29)7)23-11-9-21(31(4,5)6)15-20(23)16-26(28)33-30/h8-16H,1-7H3/q+1.

What are the key properties of trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane?

trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane has a molecular weight of 509.25 g/mol, XLogP of 7.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(3,6,10,24-tetramethyl-12-thia-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-17-yl)germane is sourced from PubChem (CID 168733791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).