2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline

C58H40N2 — CID 163454083

IUPAC2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-7-21-41(22-8-1)55-56(42-23-9-2-10-24-42)60-54-40-44(36-38-53(54)59-55)43-35-37-52-50(39-43)49-33-19-20-34-51(49)57(45-25-11-3-12-26-45,46-27-13-4-14-28-46)58(52,47-29-15-5-16-30-47)48-31-17-6-18-32-48/h1-40H
InChIKeyGYNYJLHTOFPOQY-UHFFFAOYSA-N
MW764.97 g/mol
LogP13.98
Rot. Bonds7

About 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline

2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline (PubChem CID 163454083) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline.

Molecular Properties

Compound Name2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
PubChem CID163454083
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-7-21-41(22-8-1)55-56(42-23-9-2-10-24-42)60-54-40-44(36-38-53(54)59-55)43-35-37-52-50(39-43)49-33-19-20-34-51(49)57(45-25-11-3-12-26-45,46-27-13-4-14-28-46)58(52,47-29-15-5-16-30-47)48-31-17-6-18-32-48/h1-40H
InChIKeyGYNYJLHTOFPOQY-UHFFFAOYSA-N
XLogP13.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
CID 59196250
2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
CID 163477160
3,9,9-triphenylfluorene
CID 140844354
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-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione
CID 177144993
2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline
CID 163717674
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 59800544
19-(2,3-diphenylquinoxalin-6-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-thioxanthene]
CID 146615957
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline?
The IUPAC name of 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline (CID 163454083) is 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline.
What is the SMILES notation for 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline?
The canonical SMILES for 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline is c1ccc(-c2nc3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline?
The InChIKey is GYNYJLHTOFPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-7-21-41(22-8-1)55-56(42-23-9-2-10-24-42)60-54-40-44(36-38-53(54)59-55)43-35-37-52-50(39-43)49-33-19-20-34-51(49)57(45-25-11-3-12-26-45,46-27-13-4-14-28-46)58(52,47-29-15-5-16-30-47)48-31-17-6-18-32-48/h1-40H.
What are the key properties of 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline?
2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline has a molecular weight of 764.97 g/mol, XLogP of 13.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline is sourced from PubChem (CID 163454083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).