2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline

C40H24N2O — CID 176817614

IUPAC2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
SMILESc1ccc(-c2cc3c4cc(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)ccc4oc3c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-26(12-3-1)32-24-34-33-23-29(20-21-37(33)43-40(34)31-15-7-6-14-30(31)32)39-38(41-35-16-8-9-17-36(35)42-39)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H
InChIKeyFNZKNNYTLDCSGI-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

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

2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline (PubChem CID 176817614) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline.

Molecular Properties

Compound Name2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
PubChem CID176817614
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
SMILESc1ccc(-c2cc3c4cc(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)ccc4oc3c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-11-26(12-3-1)32-24-34-33-23-29(20-21-37(33)43-40(34)31-15-7-6-14-30(31)32)39-38(41-35-16-8-9-17-36(35)42-39)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H
InChIKeyFNZKNNYTLDCSGI-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-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
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-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 176818693
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
CID 176817603
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 171755363

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline?
The IUPAC name of 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline (CID 176817614) is 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline.
What is the SMILES notation for 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline?
The canonical SMILES for 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline is c1ccc(-c2cc3c4cc(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)ccc4oc3c3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline?
The InChIKey is FNZKNNYTLDCSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-11-26(12-3-1)32-24-34-33-23-29(20-21-37(33)43-40(34)31-15-7-6-14-30(31)32)39-38(41-35-16-8-9-17-36(35)42-39)28-19-18-25-10-4-5-13-27(25)22-28/h1-24H.
What are the key properties of 2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline?
2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline 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-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline is sourced from PubChem (CID 176817614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).