2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline

C50H38N2O — CID 163805854

IUPAC2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C
InChIInChI=1S/C50H38N2O/c1-49(2)41-26-23-34(33-16-12-15-32(27-33)31-13-6-5-7-14-31)28-40(41)37-24-21-35(29-42(37)50(49,3)4)47-48(52-44-19-10-9-18-43(44)51-47)36-22-25-39-38-17-8-11-20-45(38)53-46(39)30-36/h5-30H,1-4H3
InChIKeyIFWILGVGNAPZCJ-UHFFFAOYSA-N
MW682.87 g/mol
LogP13.43
Rot. Bonds4

About 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline

2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline (PubChem CID 163805854) has the molecular formula C50H38N2O and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
PubChem CID163805854
Molecular FormulaC50H38N2O
Molecular Weight682.87 g/mol
Exact Mass682.30
IUPAC Name2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C
InChIInChI=1S/C50H38N2O/c1-49(2)41-26-23-34(33-16-12-15-32(27-33)31-13-6-5-7-14-31)28-40(41)37-24-21-35(29-42(37)50(49,3)4)47-48(52-44-19-10-9-18-43(44)51-47)36-22-25-39-38-17-8-11-20-45(38)53-46(39)30-36/h5-30H,1-4H3
InChIKeyIFWILGVGNAPZCJ-UHFFFAOYSA-N
XLogP13.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
CID 163862522
2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
CID 163673915
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 163875373
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
CID 163587007
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-dibenzofuran-1-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163459685
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287663

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline?
The IUPAC name of 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline (CID 163805854) is 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline.
What is the SMILES notation for 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline?
The canonical SMILES for 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline is CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cc2C1(C)C.
What is the InChIKey of 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline?
The InChIKey is IFWILGVGNAPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2O/c1-49(2)41-26-23-34(33-16-12-15-32(27-33)31-13-6-5-7-14-31)28-40(41)37-24-21-35(29-42(37)50(49,3)4)47-48(52-44-19-10-9-18-43(44)51-47)36-22-25-39-38-17-8-11-20-45(38)53-46(39)30-36/h5-30H,1-4H3.
What are the key properties of 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline?
2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline has a molecular weight of 682.87 g/mol, XLogP of 13.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline is sourced from PubChem (CID 163805854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).