9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

C65H59NO — CID 155606387

About 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 155606387) has the molecular formula C65H59NO and a molecular weight of 870.19 g/mol. Its IUPAC name is 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155606387
• Molecular Formula: C65H59NO
• Molecular Weight: 870.19 g/mol
• Exact Mass: 869.46
• IUPAC Name: 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCc1ccc(C2(c3ccc(Oc4ccc(C(C)CC)cc4)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)cc1
• InChI: InChI=1S/C65H59NO/c1-4-6-7-10-17-48-24-32-54(33-25-48)65(55-34-43-60(44-35-55)67-59-41-30-49(31-42-59)47(3)5-2)63-23-16-15-22-61(63)62-45-40-58(46-64(62)65)66(56-36-26-52(27-37-56)50-18-11-8-12-19-50)57-38-28-53(29-39-57)51-20-13-9-14-21-51/h8-9,11-16,18-47H,4-7,10,17H2,1-3H3
• InChIKey: PNQLDWXNMYUOTH-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.19
LogP ≤ 5	18.28
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 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 155606387) is 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CCCCCCc1ccc(C2(c3ccc(Oc4ccc(C(C)CC)cc4)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)cc1.

What is the InChIKey of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is PNQLDWXNMYUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59NO/c1-4-6-7-10-17-48-24-32-54(33-25-48)65(55-34-43-60(44-35-55)67-59-41-30-49(31-42-59)47(3)5-2)63-23-16-15-22-61(63)62-45-40-58(46-64(62)65)66(56-36-26-52(27-37-56)50-18-11-8-12-19-50)57-38-28-53(29-39-57)51-20-13-9-14-21-51/h8-9,11-16,18-47H,4-7,10,17H2,1-3H3.

What are the key properties of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?

9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 870.19 g/mol, XLogP of 18.28, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155606387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).