4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline

C104H111N — CID 58556150

About 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline

4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline (PubChem CID 58556150) has the molecular formula C104H111N and a molecular weight of 1375.04 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
• PubChem CID: 58556150
• Molecular Formula: C104H111N
• Molecular Weight: 1375.04 g/mol
• Exact Mass: 1373.87
• IUPAC Name: 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
• SMILES: CCCCCCc1ccc(-c2ccc3c(c2)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)cc5)c5ccc(C6(c7ccc(CCCCCC)cc7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)ccc2-3)cc1
• InChI: InChI=1S/C104H111N/c1-10-14-18-22-26-76-32-40-82(41-33-76)84-48-68-96-97-69-49-85(73-101(97)104(100(96)72-84,88-52-36-78(37-53-88)28-24-20-16-12-3)89-54-38-79(39-55-89)29-25-21-17-13-4)83-46-62-92(63-47-83)105(91-60-44-81(45-61-91)80-42-56-86(57-43-80)102(7,8)9)93-64-58-90(59-65-93)103(87-50-34-77(35-51-87)27-23-19-15-11-2)98-70-74(5)30-66-94(98)95-67-31-75(6)71-99(95)103/h30-73H,10-29H2,1-9H3
• InChIKey: SKUQVOHADUQJMH-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 30
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.04
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline?

The IUPAC name of 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline (CID 58556150) is 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline.

What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline?

The canonical SMILES for 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline is CCCCCCc1ccc(-c2ccc3c(c2)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)cc5)c5ccc(C6(c7ccc(CCCCCC)cc7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)ccc2-3)cc1.

What is the InChIKey of 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline?

The InChIKey is SKUQVOHADUQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H111N/c1-10-14-18-22-26-76-32-40-82(41-33-76)84-48-68-96-97-69-49-85(73-101(97)104(100(96)72-84,88-52-36-78(37-53-88)28-24-20-16-12-3)89-54-38-79(39-55-89)29-25-21-17-13-4)83-46-62-92(63-47-83)105(91-60-44-81(45-61-91)80-42-56-86(57-43-80)102(7,8)9)93-64-58-90(59-65-93)103(87-50-34-77(35-51-87)27-23-19-15-11-2)98-70-74(5)30-66-94(98)95-67-31-75(6)71-99(95)103/h30-73H,10-29H2,1-9H3.

What are the key properties of 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline?

4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline has a molecular weight of 1375.04 g/mol, XLogP of 29.29, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline is sourced from PubChem (CID 58556150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).