2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline

C40H24N2O — CID 155473925

IUPAC2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc(-c3ccc4c(ccc5c6ccccc6oc45)c3)cc2)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-38(42-39-31-11-5-4-8-26(31)20-23-35(39)41-37)28-16-14-25(15-17-28)29-18-21-32-30(24-29)19-22-34-33-12-6-7-13-36(33)43-40(32)34/h1-24H
InChIKeyPKNOBAQNYSAQII-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline

2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline (PubChem CID 155473925) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
PubChem CID155473925
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc(-c3ccc4c(ccc5c6ccccc6oc45)c3)cc2)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-38(42-39-31-11-5-4-8-26(31)20-23-35(39)41-37)28-16-14-25(15-17-28)29-18-21-32-30(24-29)19-22-34-33-12-6-7-13-36(33)43-40(32)34/h1-24H
InChIKeyPKNOBAQNYSAQII-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

Computed Properties (RDKit)

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

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Related Compounds

2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline
CID 155473882
3-naphtho[1,2-b][1]benzofuran-3-yl-2-phenylbenzo[f]quinoxaline
CID 155473874
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
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
14-phenyl-18-[4-(13-phenyl-12-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-18-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129176422
2-(3-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 155473814
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
12-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129123316
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline?
The IUPAC name of 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline (CID 155473925) is 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline?
The canonical SMILES for 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline is c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc(-c3ccc4c(ccc5c6ccccc6oc45)c3)cc2)cc1.
What is the InChIKey of 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline?
The InChIKey is PKNOBAQNYSAQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-38(42-39-31-11-5-4-8-26(31)20-23-35(39)41-37)28-16-14-25(15-17-28)29-18-21-32-30(24-29)19-22-34-33-12-6-7-13-36(33)43-40(32)34/h1-24H.
What are the key properties of 2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline?
2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]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-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 155473925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).