4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline

C62H41NO — CID 168804509

About 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline

4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 168804509) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 168804509
• Molecular Formula: C62H41NO
• Molecular Weight: 816.02 g/mol
• Exact Mass: 815.32
• IUPAC Name: 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc3cccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)cc5)cc4)c3c2)cc1
• InChI: InChI=1S/C62H41NO/c1-3-11-42(12-4-1)51-24-22-47-17-9-18-56(59(47)40-51)48-29-36-55(37-30-48)63(53-32-25-44(26-33-53)50-23-21-43-13-7-8-16-49(43)39-50)54-34-27-45(28-35-54)52-31-38-61-60(41-52)58-20-10-19-57(62(58)64-61)46-14-5-2-6-15-46/h1-41H
• InChIKey: AIIRCSCUYURJOM-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.02
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline (CID 168804509) is 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2ccc3cccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)cc5)cc4)c3c2)cc1.

What is the InChIKey of 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is AIIRCSCUYURJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-11-42(12-4-1)51-24-22-47-17-9-18-56(59(47)40-51)48-29-36-55(37-30-48)63(53-32-25-44(26-33-53)50-23-21-43-13-7-8-16-49(43)39-50)54-34-27-45(28-35-54)52-31-38-61-60(41-52)58-20-10-19-57(62(58)64-61)46-14-5-2-6-15-46/h1-41H.

What are the key properties of 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline?

4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 168804509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).