4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline

C79H88N2 — CID 140553755

About 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline

4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline (PubChem CID 140553755) has the molecular formula C79H88N2 and a molecular weight of 1065.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
• PubChem CID: 140553755
• Molecular Formula: C79H88N2
• Molecular Weight: 1065.59 g/mol
• Exact Mass: 1064.69
• IUPAC Name: 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
• SMILES: CCCCCCc1ccc(C2(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6c(C)cc(C(C)(C)C)cc6C)cc5)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
• InChI: InChI=1S/C79H88N2/c1-17-18-19-20-21-58-24-30-62(31-25-58)79(72-46-52(2)22-44-70(72)71-45-23-53(3)47-73(71)79)63-34-42-69(43-35-63)81(75-56(6)50-65(51-57(75)7)78(14,15)16)67-38-28-60(29-39-67)59-26-36-66(37-27-59)80(68-40-32-61(33-41-68)76(8,9)10)74-54(4)48-64(49-55(74)5)77(11,12)13/h22-51H,17-21H2,1-16H3
• InChIKey: VVSJBVFJPQJQBP-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.59
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline?

The IUPAC name of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline (CID 140553755) is 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline.

What is the SMILES notation for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline?

The canonical SMILES for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline is CCCCCCc1ccc(C2(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6c(C)cc(C(C)(C)C)cc6C)cc5)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.

What is the InChIKey of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline?

The InChIKey is VVSJBVFJPQJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H88N2/c1-17-18-19-20-21-58-24-30-62(31-25-58)79(72-46-52(2)22-44-70(72)71-45-23-53(3)47-73(71)79)63-34-42-69(43-35-63)81(75-56(6)50-65(51-57(75)7)78(14,15)16)67-38-28-60(29-39-67)59-26-36-66(37-27-59)80(68-40-32-61(33-41-68)76(8,9)10)74-54(4)48-64(49-55(74)5)77(11,12)13/h22-51H,17-21H2,1-16H3.

What are the key properties of 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline?

4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline has a molecular weight of 1065.59 g/mol, XLogP of 22.52, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline is sourced from PubChem (CID 140553755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).