N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline

C42H44N2O4Si2 — CID 58879109

About N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline

N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 58879109) has the molecular formula C42H44N2O4Si2 and a molecular weight of 697.00 g/mol. Its IUPAC name is N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline
• PubChem CID: 58879109
• Molecular Formula: C42H44N2O4Si2
• Molecular Weight: 697.00 g/mol
• Exact Mass: 696.28
• IUPAC Name: N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline
• SMILES: CO[Si](C)(OC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([Si](C)(OC)OC)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C42H44N2O4Si2/c1-45-49(5,46-2)41-29-25-39(26-30-41)43(35-13-9-7-10-14-35)37-21-17-33(18-22-37)34-19-23-38(24-20-34)44(36-15-11-8-12-16-36)40-27-31-42(32-28-40)50(6,47-3)48-4/h7-32H,1-6H3
• InChIKey: GPMMOBQNPYDEFF-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.00
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline?

The IUPAC name of N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline (CID 58879109) is N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline.

What is the SMILES notation for N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline?

The canonical SMILES for N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline is CO[Si](C)(OC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([Si](C)(OC)OC)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline?

The InChIKey is GPMMOBQNPYDEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2O4Si2/c1-45-49(5,46-2)41-29-25-39(26-30-41)43(35-13-9-7-10-14-35)37-21-17-33(18-22-37)34-19-23-38(24-20-34)44(36-15-11-8-12-16-36)40-27-31-42(32-28-40)50(6,47-3)48-4/h7-32H,1-6H3.

What are the key properties of N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline?

N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 697.00 g/mol, XLogP of 9.44, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[dimethoxy(methyl)silyl]phenyl]-4-[4-(N-[4-[dimethoxy(methyl)silyl]phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 58879109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).