2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline

C40H24N2O — CID 176818625

IUPAC2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3c4ccc(-c5cccc6ccccc56)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-26(13-3-1)38-39(42-36-20-9-8-19-35(36)41-38)33-24-34-31-22-21-27(29-18-10-14-25-11-4-5-15-28(25)29)23-37(31)43-40(34)32-17-7-6-16-30(32)33/h1-24H
InChIKeyOPIHQNRWDKNGQK-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline

2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline (PubChem CID 176818625) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
PubChem CID176818625
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3c4ccc(-c5cccc6ccccc56)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-26(13-3-1)38-39(42-36-20-9-8-19-35(36)41-38)33-24-34-31-22-21-27(29-18-10-14-25-11-4-5-15-28(25)29)23-37(31)43-40(34)32-17-7-6-16-30(32)33/h1-24H
InChIKeyOPIHQNRWDKNGQK-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-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-3-(4-phenylphenyl)quinoxaline
CID 167143626
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
CID 176818332
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818146
7-[3-(8-naphthalen-1-yldibenzofuran-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009763
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline (CID 176818625) is 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2cc3c4ccc(-c5cccc6ccccc56)cc4oc3c3ccccc23)cc1.
What is the InChIKey of 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline?
The InChIKey is OPIHQNRWDKNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-12-26(13-3-1)38-39(42-36-20-9-8-19-35(36)41-38)33-24-34-31-22-21-27(29-18-10-14-25-11-4-5-15-28(25)29)23-37(31)43-40(34)32-17-7-6-16-30(32)33/h1-24H.
What are the key properties of 2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline?
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-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-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline is sourced from PubChem (CID 176818625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).