8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine

C48H46N2Si — CID 140757038

About 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 140757038) has the molecular formula C48H46N2Si and a molecular weight of 679.00 g/mol. Its IUPAC name is 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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: 140757038
• Molecular Formula: C48H46N2Si
• Molecular Weight: 679.00 g/mol
• Exact Mass: 678.34
• IUPAC Name: 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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: Cc1cc(C)c(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5c(C)cc(C)cc5C)ccc-3c24)c(C)c1
• InChI: InChI=1S/C48H46N2Si/c1-31-26-33(3)47(34(4)27-31)49(37-16-11-9-12-17-37)39-22-23-40-41-24-25-43(42-20-15-21-44(46(41)42)51(7,8)45(40)30-39)50(38-18-13-10-14-19-38)48-35(5)28-32(2)29-36(48)6/h9-30H,1-8H3
• InChIKey: HYJHHROGPPYKMC-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.00
LogP ≤ 5	12.43
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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 140757038) is 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 Cc1cc(C)c(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5c(C)cc(C)cc5C)ccc-3c24)c(C)c1.

What is the InChIKey of 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 HYJHHROGPPYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N2Si/c1-31-26-33(3)47(34(4)27-31)49(37-16-11-9-12-17-37)39-22-23-40-41-24-25-43(42-20-15-21-44(46(41)42)51(7,8)45(40)30-39)50(38-18-13-10-14-19-38)48-35(5)28-32(2)29-36(48)6/h9-30H,1-8H3.

What are the key properties of 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 679.00 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-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 140757038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).