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

C47H38N2SSi — CID 123316620

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

14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (PubChem CID 123316620) has the molecular formula C47H38N2SSi and a molecular weight of 690.99 g/mol. Its IUPAC name is 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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: 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
• PubChem CID: 123316620
• Molecular Formula: C47H38N2SSi
• Molecular Weight: 690.99 g/mol
• Exact Mass: 690.25
• IUPAC Name: 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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)Sc2cccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc-3c24)cc1
• InChI: InChI=1S/C47H38N2SSi/c1-51(2,3)40-26-23-37(24-27-40)48(35-15-6-4-7-16-35)39-25-28-41-42-29-30-44(43-19-12-20-45(47(42)43)50-46(41)32-39)49(36-17-8-5-9-18-36)38-22-21-33-13-10-11-14-34(33)31-38/h4-32H,1-3H3
• InChIKey: AVLCPHAGLMOFAS-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.99
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (CID 123316620) is 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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)Sc2cccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc-3c24)cc1.

What is the InChIKey of 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 AVLCPHAGLMOFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2SSi/c1-51(2,3)40-26-23-37(24-27-40)48(35-15-6-4-7-16-35)39-25-28-41-42-29-30-44(43-19-12-20-45(47(42)43)50-46(41)32-39)49(36-17-8-5-9-18-36)38-22-21-33-13-10-11-14-34(33)31-38/h4-32H,1-3H3.

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

14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 690.99 g/mol, XLogP of 13.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[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 123316620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).