N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine

C60H39NO — CID 168805250

About N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine (PubChem CID 168805250) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
• PubChem CID: 168805250
• Molecular Formula: C60H39NO
• Molecular Weight: 789.98 g/mol
• Exact Mass: 789.30
• IUPAC Name: N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4cccc5ccccc45)cc3)c3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C60H39NO/c1-3-15-42(16-4-1)49-26-14-27-54-55-39-45(33-38-57(55)62-60(49)54)40-29-34-46(35-30-40)61(56-28-13-20-41-17-7-8-21-48(41)56)47-36-31-44(32-37-47)59-53-25-12-10-23-51(53)50-22-9-11-24-52(50)58(59)43-18-5-2-6-19-43/h1-39H
• InChIKey: HCFWXMWFZCNEKA-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.98
LogP ≤ 5	17.18
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-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine?

The IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine (CID 168805250) is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine?

The canonical SMILES for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4cccc5ccccc45)cc3)c3ccccc3c3ccccc23)cc1.

What is the InChIKey of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine?

The InChIKey is HCFWXMWFZCNEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-42(16-4-1)49-26-14-27-54-55-39-45(33-38-57(55)62-60(49)54)40-29-34-46(35-30-40)61(56-28-13-20-41-17-7-8-21-48(41)56)47-36-31-44(32-37-47)59-53-25-12-10-23-51(53)50-22-9-11-24-52(50)58(59)43-18-5-2-6-19-43/h1-39H.

What are the key properties of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine?

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 168805250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).