2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline

C34H20N2O — CID 155473882

IUPAC2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3c(ccc4c5ccccc5oc34)c2)cc1
InChIInChI=1S/C34H20N2O/c1-2-9-22(10-3-1)31-32(36-33-25-11-5-4-8-21(25)16-19-29(33)35-31)24-15-17-26-23(20-24)14-18-28-27-12-6-7-13-30(27)37-34(26)28/h1-20H
InChIKeyXILVEJAXBZIAFY-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

About 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline

2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline (PubChem CID 155473882) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline
PubChem CID155473882
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3c(ccc4c5ccccc5oc34)c2)cc1
InChIInChI=1S/C34H20N2O/c1-2-9-22(10-3-1)31-32(36-33-25-11-5-4-8-21(25)16-19-29(33)35-31)24-15-17-26-23(20-24)14-18-28-27-12-6-7-13-30(27)37-34(26)28/h1-20H
InChIKeyXILVEJAXBZIAFY-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-naphtho[1,2-b][1]benzofuran-3-yl-2-phenylbenzo[f]quinoxaline
CID 155473874
2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
CID 155473925
3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline
CID 162229273
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
2-(3-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 155473814
12-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129123316
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2-dibenzofuran-1-yl-3-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)quinoxaline;2-naphthalen-2-yl-3-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinoxaline;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-3-phenylbenzo[f]quinoxaline;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-3-phenylquinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-phenylquinoxaline
CID 158311838
3-phenyl-2-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)benzo[f]quinoxaline
CID 164721432

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline (CID 155473882) is 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline is c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3c(ccc4c5ccccc5oc34)c2)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline?
The InChIKey is XILVEJAXBZIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-2-9-22(10-3-1)31-32(36-33-25-11-5-4-8-21(25)16-19-29(33)35-31)24-15-17-26-23(20-24)14-18-28-27-12-6-7-13-30(27)37-34(26)28/h1-20H.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline?
2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 155473882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).