2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline

C36H24N2O — CID 167403149

IUPAC2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
SMILESC1=Cc2ccc(-c3ccc4oc5cc(-c6nc7ccccc7nc6-c6ccccc6)ccc5c4c3)cc2CC1
InChIInChI=1S/C36H24N2O/c1-2-9-24(10-3-1)35-36(38-32-13-7-6-12-31(32)37-35)28-16-18-29-30-21-27(17-19-33(30)39-34(29)22-28)26-15-14-23-8-4-5-11-25(23)20-26/h1-4,6-10,12-22H,5,11H2
InChIKeyREZCWRGIANRSDU-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.49
Rot. Bonds3

About 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline

2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline (PubChem CID 167403149) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
PubChem CID167403149
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
SMILESC1=Cc2ccc(-c3ccc4oc5cc(-c6nc7ccccc7nc6-c6ccccc6)ccc5c4c3)cc2CC1
InChIInChI=1S/C36H24N2O/c1-2-9-24(10-3-1)35-36(38-32-13-7-6-12-31(32)37-35)28-16-18-29-30-21-27(17-19-33(30)39-34(29)22-28)26-15-14-23-8-4-5-11-25(23)20-26/h1-4,6-10,12-22H,5,11H2
InChIKeyREZCWRGIANRSDU-UHFFFAOYSA-N
XLogP9.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166656528
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-(7,8-dihydronaphthalen-2-yl)-4-(3-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170219053
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
18-[4-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-3-oxapentacyclo[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 123927159
N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
CID 176818100
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline?
The IUPAC name of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline (CID 167403149) is 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline?
The canonical SMILES for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline is C1=Cc2ccc(-c3ccc4oc5cc(-c6nc7ccccc7nc6-c6ccccc6)ccc5c4c3)cc2CC1.
What is the InChIKey of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline?
The InChIKey is REZCWRGIANRSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-2-9-24(10-3-1)35-36(38-32-13-7-6-12-31(32)37-35)28-16-18-29-30-21-27(17-19-33(30)39-34(29)22-28)26-15-14-23-8-4-5-11-25(23)20-26/h1-4,6-10,12-22H,5,11H2.
What are the key properties of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline?
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline has a molecular weight of 500.60 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline is sourced from PubChem (CID 167403149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).