9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine

C47H28N2O3 — CID 177081945

About 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 177081945) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
• PubChem CID: 177081945
• Molecular Formula: C47H28N2O3
• Molecular Weight: 668.75 g/mol
• Exact Mass: 668.21
• IUPAC Name: 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccc3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3c2)cc1
• InChI: InChI=1S/C47H28N2O3/c1-2-10-29(11-3-1)31-21-20-30-22-23-33(27-32(30)26-31)49(34-24-25-42-38(28-34)35-12-4-6-17-41(35)50-42)40-16-8-13-36-45-37(14-9-19-44(45)51-46(36)40)47-48-39-15-5-7-18-43(39)52-47/h1-28H
• InChIKey: DIGANWDMBDBJAV-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 55.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.75
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine?

The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 177081945) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine?

The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4oc4cccc(-c6nc7ccccc7o6)c45)cc3c2)cc1.

What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine?

The InChIKey is DIGANWDMBDBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-10-29(11-3-1)31-21-20-30-22-23-33(27-32(30)26-31)49(34-24-25-42-38(28-34)35-12-4-6-17-41(35)50-42)40-16-8-13-36-45-37(14-9-19-44(45)51-46(36)40)47-48-39-15-5-7-18-43(39)52-47/h1-28H.

What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine?

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 668.75 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 177081945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).