2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline

C40H24N2O — CID 176817926

IUPAC2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3oc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-26(12-3-1)38-39(42-36-17-9-8-16-35(36)41-38)29-20-21-37-33(23-29)34-24-32(30-14-6-7-15-31(30)40(34)43-37)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H
InChIKeyAMCZBGVGDTXUCO-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline

2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline (PubChem CID 176817926) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
PubChem CID176817926
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3oc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-26(12-3-1)38-39(42-36-17-9-8-16-35(36)41-38)29-20-21-37-33(23-29)34-24-32(30-14-6-7-15-31(30)40(34)43-37)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H
InChIKeyAMCZBGVGDTXUCO-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
CID 176817614
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164834936
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 176818693
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
CID 176818625
2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
CID 176818332
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline (CID 176817926) is 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc3oc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c3c2)cc1.
What is the InChIKey of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline?
The InChIKey is AMCZBGVGDTXUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-11-26(12-3-1)38-39(42-36-17-9-8-16-35(36)41-38)29-20-21-37-33(23-29)34-24-32(30-14-6-7-15-31(30)40(34)43-37)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H.
What are the key properties of 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline?
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline is sourced from PubChem (CID 176817926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).