(3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane

C31H32GeNS+ — CID 168732666

About (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane

(3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane (PubChem CID 168732666) has the molecular formula C31H32GeNS+ and a molecular weight of 523.28 g/mol. Its IUPAC name is (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane.

Molecular Properties

• Compound Name: (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane
• PubChem CID: 168732666
• Molecular Formula: C31H32GeNS+
• Molecular Weight: 523.28 g/mol
• Exact Mass: 524.15
• IUPAC Name: (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane
• SMILES: Cc1c2c(c(C(C)C)c3ccccc13)Sc1cc3cc([Ge](C)(C)C)ccc3c3cc[n+](C)c-2c13
• InChI: InChI=1S/C31H32GeNS/c1-18(2)27-24-11-9-8-10-22(24)19(3)28-30-29-25(14-15-33(30)7)23-13-12-21(32(4,5)6)16-20(23)17-26(29)34-31(27)28/h8-18H,1-7H3/q+1
• InChIKey: DDWXVJQKWYDLTK-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 3.88 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.28
LogP ≤ 5	8.08
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 (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane?

The IUPAC name of (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane (CID 168732666) is (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane.

What is the SMILES notation for (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane?

The canonical SMILES for (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane is Cc1c2c(c(C(C)C)c3ccccc13)Sc1cc3cc([Ge](C)(C)C)ccc3c3cc[n+](C)c-2c13.

What is the InChIKey of (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane?

The InChIKey is DDWXVJQKWYDLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32GeNS/c1-18(2)27-24-11-9-8-10-22(24)19(3)28-30-29-25(14-15-33(30)7)23-13-12-21(32(4,5)6)16-20(23)17-26(29)34-31(27)28/h8-18H,1-7H3/q+1.

What are the key properties of (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane?

(3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane has a molecular weight of 523.28 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3,24-dimethyl-10-propan-2-yl-12-thia-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)-trimethylgermane is sourced from PubChem (CID 168732666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).