[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane

C37H41GeNSi — CID 171747851

About [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane

[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane (PubChem CID 171747851) has the molecular formula C37H41GeNSi and a molecular weight of 600.44 g/mol. Its IUPAC name is [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane
• PubChem CID: 171747851
• Molecular Formula: C37H41GeNSi
• Molecular Weight: 600.44 g/mol
• Exact Mass: 601.22
• IUPAC Name: [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane
• SMILES: Cc1cc([Si](C)(C)C)ccc1-c1ccc2c(c1)[Ge](C)(C)c1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1
• InChI: InChI=1S/C37H41GeNSi/c1-24-20-28(40(7,8)9)15-17-29(24)26-14-16-31-32-18-19-39-36(35(32)38(5,6)34(31)23-26)27-21-25-12-10-11-13-30(25)33(22-27)37(2,3)4/h10-23H,1-9H3
• InChIKey: ZHKKXGGDBSCUBW-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.44
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane?

The IUPAC name of [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane (CID 171747851) is [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane.

What is the SMILES notation for [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane?

The canonical SMILES for [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane is Cc1cc([Si](C)(C)C)ccc1-c1ccc2c(c1)[Ge](C)(C)c1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1.

What is the InChIKey of [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane?

The InChIKey is ZHKKXGGDBSCUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41GeNSi/c1-24-20-28(40(7,8)9)15-17-29(24)26-14-16-31-32-18-19-39-36(35(32)38(5,6)34(31)23-26)27-21-25-12-10-11-13-30(25)33(22-27)37(2,3)4/h10-23H,1-9H3.

What are the key properties of [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane?

[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane has a molecular weight of 600.44 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane is sourced from PubChem (CID 171747851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).