N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine

C59H47NO — CID 170304639

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine (PubChem CID 170304639) has the molecular formula C59H47NO and a molecular weight of 786.03 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine
• PubChem CID: 170304639
• Molecular Formula: C59H47NO
• Molecular Weight: 786.03 g/mol
• Exact Mass: 785.37
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine
• SMILES: C1=Cc2c(oc3cc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc23)CC1
• InChI: InChI=1S/C59H47NO/c1-3-17-40(18-4-1)46-27-15-19-41-20-16-28-52(58(41)46)49-25-9-13-31-55(49)60(45-37-38-51-50-26-10-14-32-56(50)61-57(51)39-45)44-35-33-43(34-36-44)59(42-21-5-2-6-22-42)53-29-11-7-23-47(53)48-24-8-12-30-54(48)59/h2,5-13,15-16,19-31,33-40H,1,3-4,14,17-18,32H2
• InChIKey: BVRFYNSGINJNEV-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.03
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine (CID 170304639) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine is C1=Cc2c(oc3cc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc23)CC1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine?

The InChIKey is BVRFYNSGINJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47NO/c1-3-17-40(18-4-1)46-27-15-19-41-20-16-28-52(58(41)46)49-25-9-13-31-55(49)60(45-37-38-51-50-26-10-14-32-56(50)61-57(51)39-45)44-35-33-43(34-36-44)59(42-21-5-2-6-22-42)53-29-11-7-23-47(53)48-24-8-12-30-54(48)59/h2,5-13,15-16,19-31,33-40H,1,3-4,14,17-18,32H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine has a molecular weight of 786.03 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 170304639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).