7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline

C47H30N4 — CID 145180495

IUPAC7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4n4c3cnc3ccccc34)cc2)cc1
InChIInChI=1S/C47H30N4/c1-3-15-34(16-4-1)45-44(46(35-17-5-2-6-18-35)50-47(49-45)37-22-13-19-31-14-7-8-20-36(31)37)33-28-26-32(27-29-33)43-38-21-9-11-24-40(38)51-41-25-12-10-23-39(41)48-30-42(43)51/h1-30H
InChIKeyHYSNJABTXNNMJV-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.92
Rot. Bonds5

About 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline

7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180495) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180495
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4n4c3cnc3ccccc34)cc2)cc1
InChIInChI=1S/C47H30N4/c1-3-15-34(16-4-1)45-44(46(35-17-5-2-6-18-35)50-47(49-45)37-22-13-19-31-14-7-8-20-36(31)37)33-28-26-32(27-29-33)43-38-21-9-11-24-40(38)51-41-25-12-10-23-39(41)48-30-42(43)51/h1-30H
InChIKeyHYSNJABTXNNMJV-UHFFFAOYSA-N
XLogP11.92
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline with MolForge

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Related Compounds

7-[4-(4-carbazol-9-ylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145180155
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180557
7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145179941
10-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782470
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
CID 134222641
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline (CID 145180495) is 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccccc3)c2-c2ccc(-c3c4ccccc4n4c3cnc3ccccc34)cc2)cc1.
What is the InChIKey of 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is HYSNJABTXNNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-3-15-34(16-4-1)45-44(46(35-17-5-2-6-18-35)50-47(49-45)37-22-13-19-31-14-7-8-20-36(31)37)33-28-26-32(27-29-33)43-38-21-9-11-24-40(38)51-41-25-12-10-23-39(41)48-30-42(43)51/h1-30H.
What are the key properties of 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline?
7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 650.79 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).