N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine

C82H100N2 — CID 58251074

About N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine

N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine (PubChem CID 58251074) has the molecular formula C82H100N2 and a molecular weight of 1113.72 g/mol. Its IUPAC name is N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
• PubChem CID: 58251074
• Molecular Formula: C82H100N2
• Molecular Weight: 1113.72 g/mol
• Exact Mass: 1112.79
• IUPAC Name: N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
• SMILES: CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(C)c4ccc(C(C)C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C(C)C)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(C)ccc4-5)cc3)cc21
• InChI: InChI=1S/C82H100N2/c1-11-15-19-23-51-81(52-24-20-16-12-2)77-55-61(9)27-47-73(77)76-50-46-72(58-80(76)81)84(70-42-30-63(31-43-70)60(7)8)71-44-34-65(35-45-71)67-37-49-75-74-48-36-66(64-32-40-69(41-33-64)83(10)68-38-28-62(29-39-68)59(5)6)56-78(74)82(79(75)57-67,53-25-21-17-13-3)54-26-22-18-14-4/h27-50,55-60H,11-26,51-54H2,1-10H3
• InChIKey: PDAKQWKEAIPRRG-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 29
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.72
LogP ≤ 5	25.23
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 N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine (CID 58251074) is N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(C)c4ccc(C(C)C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C(C)C)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(C)ccc4-5)cc3)cc21.

What is the InChIKey of N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine?

The InChIKey is PDAKQWKEAIPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H100N2/c1-11-15-19-23-51-81(52-24-20-16-12-2)77-55-61(9)27-47-73(77)76-50-46-72(58-80(76)81)84(70-42-30-63(31-43-70)60(7)8)71-44-34-65(35-45-71)67-37-49-75-74-48-36-66(64-32-40-69(41-33-64)83(10)68-38-28-62(29-39-68)59(5)6)56-78(74)82(79(75)57-67,53-25-21-17-13-3)54-26-22-18-14-4/h27-50,55-60H,11-26,51-54H2,1-10H3.

What are the key properties of N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine?

N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine has a molecular weight of 1113.72 g/mol, XLogP of 25.23, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 58251074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).