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

C52H40N2Si — CID 140757027

About 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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-(2-phenylphenyl)-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 140757027) has the molecular formula C52H40N2Si and a molecular weight of 720.99 g/mol. Its IUPAC name is 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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-(2-phenylphenyl)-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: 140757027
• Molecular Formula: C52H40N2Si
• Molecular Weight: 720.99 g/mol
• Exact Mass: 720.30
• IUPAC Name: 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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]1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23
• InChI: InChI=1S/C52H40N2Si/c1-55(2)50-28-16-26-47-49(53(40-21-8-4-9-22-40)42-30-29-37-17-12-13-20-39(37)35-42)34-33-46(52(47)50)45-32-31-43(36-51(45)55)54(41-23-10-5-11-24-41)48-27-15-14-25-44(48)38-18-6-3-7-19-38/h3-36H,1-2H3
• InChIKey: JWPOTYNPKOUGKX-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.99
LogP ≤ 5	13.40
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-(2-phenylphenyl)-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-(2-phenylphenyl)-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 140757027) is 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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-(2-phenylphenyl)-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-(2-phenylphenyl)-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]1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)c3cccc1c23.

What is the InChIKey of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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 JWPOTYNPKOUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2Si/c1-55(2)50-28-16-26-47-49(53(40-21-8-4-9-22-40)42-30-29-37-17-12-13-20-39(37)35-42)34-33-46(52(47)50)45-32-31-43(36-51(45)55)54(41-23-10-5-11-24-41)48-27-15-14-25-44(48)38-18-6-3-7-19-38/h3-36H,1-2H3.

What are the key properties of 8,8-dimethyl-14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(2-phenylphenyl)-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-(2-phenylphenyl)-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 720.99 g/mol, XLogP of 13.40, 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-(2-phenylphenyl)-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 140757027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).