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

C101H109N3 — CID 140553747

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

4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline (PubChem CID 140553747) has the molecular formula C101H109N3 and a molecular weight of 1365.00 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
• PubChem CID: 140553747
• Molecular Formula: C101H109N3
• Molecular Weight: 1365.00 g/mol
• Exact Mass: 1363.86
• IUPAC Name: 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-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)c4ccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6c(C)cc(C(C)(C)C)cc6C)cc5)cc4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
• InChI: InChI=1S/C101H109N3/c1-20-21-22-23-24-73-27-37-80(38-28-73)101(93-61-67(2)25-59-91(93)92-60-26-68(3)62-94(92)101)81-43-57-86(58-44-81)102(84-45-29-74(30-46-84)76-33-49-87(50-34-76)103(89-53-39-78(40-54-89)97(8,9)10)95-69(4)63-82(64-70(95)5)99(14,15)16)85-47-31-75(32-48-85)77-35-51-88(52-36-77)104(90-55-41-79(42-56-90)98(11,12)13)96-71(6)65-83(66-72(96)7)100(17,18)19/h25-66H,20-24H2,1-19H3
• InChIKey: CVJNTZRMQLUQMM-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.00
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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

The IUPAC name of 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline (CID 140553747) is 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline.

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

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

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

The InChIKey is CVJNTZRMQLUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H109N3/c1-20-21-22-23-24-73-27-37-80(38-28-73)101(93-61-67(2)25-59-91(93)92-60-26-68(3)62-94(92)101)81-43-57-86(58-44-81)102(84-45-29-74(30-46-84)76-33-49-87(50-34-76)103(89-53-39-78(40-54-89)97(8,9)10)95-69(4)63-82(64-70(95)5)99(14,15)16)85-47-31-75(32-48-85)77-35-51-88(52-36-77)104(90-55-41-79(42-56-90)98(11,12)13)96-71(6)65-83(66-72(96)7)100(17,18)19/h25-66H,20-24H2,1-19H3.

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

4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline has a molecular weight of 1365.00 g/mol, XLogP of 28.96, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 140553747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).