5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C51H32N2O2 — CID 167454078

About 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167454078) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
• PubChem CID: 167454078
• Molecular Formula: C51H32N2O2
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.25
• IUPAC Name: 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
• SMILES: c1ccc(-c2cc3c4ccccc4n(-c4ccc(C5Nc6c(cc(-c7ccc8ccccc8c7)c7oc8ccccc8c67)O5)cc4)c3c3ccccc23)cc1
• InChI: InChI=1S/C51H32N2O2/c1-2-13-32(14-3-1)41-29-43-38-17-8-10-20-44(38)53(49(43)39-18-7-6-16-37(39)41)36-26-24-33(25-27-36)51-52-48-46(55-51)30-42(35-23-22-31-12-4-5-15-34(31)28-35)50-47(48)40-19-9-11-21-45(40)54-50/h1-30,51-52H
• InChIKey: ROVIBKCWLSOXLL-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 39.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?

The IUPAC name of 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167454078) is 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

What is the SMILES notation for 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?

The canonical SMILES for 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-c2cc3c4ccccc4n(-c4ccc(C5Nc6c(cc(-c7ccc8ccccc8c7)c7oc8ccccc8c67)O5)cc4)c3c3ccccc23)cc1.

What is the InChIKey of 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?

The InChIKey is ROVIBKCWLSOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-2-13-32(14-3-1)41-29-43-38-17-8-10-20-44(38)53(49(43)39-18-7-6-16-37(39)41)36-26-24-33(25-27-36)51-52-48-46(55-51)30-42(35-23-22-31-12-4-5-15-34(31)28-35)50-47(48)40-19-9-11-21-45(40)54-50/h1-30,51-52H.

What are the key properties of 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?

5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 704.83 g/mol, XLogP of 13.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167454078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).