N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine

C57H39NO — CID 118405775

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine (PubChem CID 118405775) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
• PubChem CID: 118405775
• Molecular Formula: C57H39NO
• Molecular Weight: 753.95 g/mol
• Exact Mass: 753.30
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C57H39NO/c1-57(2)53-20-9-7-16-48(53)49-32-26-38(34-54(49)57)36-22-27-39(28-23-36)58(41-31-33-47-45-14-4-3-12-43(45)44-13-5-6-15-46(44)52(47)35-41)40-29-24-37(25-30-40)42-18-11-19-51-50-17-8-10-21-55(50)59-56(42)51/h3-35H,1-2H3
• InChIKey: QCIOLJYQVOCRSG-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.95
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine (CID 118405775) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine?

The InChIKey is QCIOLJYQVOCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)53-20-9-7-16-48(53)49-32-26-38(34-54(49)57)36-22-27-39(28-23-36)58(41-31-33-47-45-14-4-3-12-43(45)44-13-5-6-15-46(44)52(47)35-41)40-29-24-37(25-30-40)42-18-11-19-51-50-17-8-10-21-55(50)59-56(42)51/h3-35H,1-2H3.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine?

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 118405775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).