8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine

C49H44N2Si2 — CID 140757029

About 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine

8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (PubChem CID 140757029) has the molecular formula C49H44N2Si2 and a molecular weight of 717.08 g/mol. Its IUPAC name is 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine.

Molecular Properties

• Compound Name: 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
• PubChem CID: 140757029
• Molecular Formula: C49H44N2Si2
• Molecular Weight: 717.08 g/mol
• Exact Mass: 716.30
• IUPAC Name: 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc-3c24)cc1
• InChI: InChI=1S/C49H44N2Si2/c1-52(2,3)42-28-25-39(26-29-42)50(37-17-8-6-9-18-37)41-27-30-43-44-31-32-46(45-21-14-22-47(49(44)45)53(4,5)48(43)34-41)51(38-19-10-7-11-20-38)40-24-23-35-15-12-13-16-36(35)33-40/h6-34H,1-5H3
• InChIKey: XHXVBZQPIUSAPP-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.08
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The IUPAC name of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (CID 140757029) is 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine.

What is the SMILES notation for 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The canonical SMILES for 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc-3c24)cc1.

What is the InChIKey of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The InChIKey is XHXVBZQPIUSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2Si2/c1-52(2,3)42-28-25-39(26-29-42)50(37-17-8-6-9-18-37)41-27-30-43-44-31-32-46(45-21-14-22-47(49(44)45)53(4,5)48(43)34-41)51(38-19-10-7-11-20-38)40-24-23-35-15-12-13-16-36(35)33-40/h6-34H,1-5H3.

What are the key properties of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine has a molecular weight of 717.08 g/mol, XLogP of 12.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine is sourced from PubChem (CID 140757029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).