N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C42H42N2OSi — CID 54214598

About N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 54214598) has the molecular formula C42H42N2OSi and a molecular weight of 618.90 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• PubChem CID: 54214598
• Molecular Formula: C42H42N2OSi
• Molecular Weight: 618.90 g/mol
• Exact Mass: 618.31
• IUPAC Name: N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• SMILES: CO[Si](C)(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C42H42N2OSi/c1-31-7-17-36(18-8-31)43(37-19-9-32(2)10-20-37)39-23-13-34(14-24-39)35-15-25-40(26-16-35)44(38-21-11-33(3)12-22-38)41-27-29-42(30-28-41)46(5,6)45-4/h7-30H,1-6H3
• InChIKey: PYGVAYJMHUELBJ-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.90
LogP ≤ 5	11.28
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 N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The IUPAC name of N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 54214598) is N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

What is the SMILES notation for N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The canonical SMILES for N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is CO[Si](C)(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The InChIKey is PYGVAYJMHUELBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N2OSi/c1-31-7-17-36(18-8-31)43(37-19-9-32(2)10-20-37)39-23-13-34(14-24-39)35-15-25-40(26-16-35)44(38-21-11-33(3)12-22-38)41-27-29-42(30-28-41)46(5,6)45-4/h7-30H,1-6H3.

What are the key properties of N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 618.90 g/mol, XLogP of 11.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 54214598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).