3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline

C97H87N5O2Si3 — CID 90351380

About 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline

3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 90351380) has the molecular formula C97H87N5O2Si3 and a molecular weight of 1439.05 g/mol. Its IUPAC name is 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
• PubChem CID: 90351380
• Molecular Formula: C97H87N5O2Si3
• Molecular Weight: 1439.05 g/mol
• Exact Mass: 1437.62
• IUPAC Name: 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
• SMILES: C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c1
• InChI: InChI=1S/C97H87N5O2Si3/c1-105(2,3)103-107(7,104-106(4,5)6)97-40-26-39-96(73-97)102(94-69-53-80(54-70-94)78-49-65-92(66-50-78)100(86-35-22-12-23-36-86)90-61-45-76(46-62-90)74-41-57-88(58-42-74)98(82-27-14-8-15-28-82)83-29-16-9-17-30-83)95-71-55-81(56-72-95)79-51-67-93(68-52-79)101(87-37-24-13-25-38-87)91-63-47-77(48-64-91)75-43-59-89(60-44-75)99(84-31-18-10-19-32-84)85-33-20-11-21-34-85/h8-73H,1-7H3
• InChIKey: YQZMLIMICABQPF-UHFFFAOYSA-N
• XLogP: 27.69
• TPSA: 34.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1439.05
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?

The IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline (CID 90351380) is 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline.

What is the SMILES notation for 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?

The canonical SMILES for 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline is C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c1.

What is the InChIKey of 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?

The InChIKey is YQZMLIMICABQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H87N5O2Si3/c1-105(2,3)103-107(7,104-106(4,5)6)97-40-26-39-96(73-97)102(94-69-53-80(54-70-94)78-49-65-92(66-50-78)100(86-35-22-12-23-36-86)90-61-45-76(46-62-90)74-41-57-88(58-42-74)98(82-27-14-8-15-28-82)83-29-16-9-17-30-83)95-71-55-81(56-72-95)79-51-67-93(68-52-79)101(87-37-24-13-25-38-87)91-63-47-77(48-64-91)75-43-59-89(60-44-75)99(84-31-18-10-19-32-84)85-33-20-11-21-34-85/h8-73H,1-7H3.

What are the key properties of 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?

3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 1439.05 g/mol, XLogP of 27.69, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-bis(trimethylsilyloxy)silyl]-N,N-bis[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 90351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).