6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline

C46H30N4 — CID 146382687

IUPAC6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6nccnc6c5)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-2-8-36(9-3-1)43-30-44(50-46(49-43)38-23-19-35(20-24-38)41-12-6-10-34-7-4-5-11-40(34)41)37-21-17-32(18-22-37)31-13-15-33(16-14-31)39-25-26-42-45(29-39)48-28-27-47-42/h1-30H
InChIKeySSEKERWHDURIKV-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline

6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline (PubChem CID 146382687) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline.

Molecular Properties

Compound Name6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline
PubChem CID146382687
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6nccnc6c5)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-2-8-36(9-3-1)43-30-44(50-46(49-43)38-23-19-35(20-24-38)41-12-6-10-34-7-4-5-11-40(34)41)37-21-17-32(18-22-37)31-13-15-33(16-14-31)39-25-26-42-45(29-39)48-28-27-47-42/h1-30H
InChIKeySSEKERWHDURIKV-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline?
The IUPAC name of 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline (CID 146382687) is 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline.
What is the SMILES notation for 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline?
The canonical SMILES for 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6nccnc6c5)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline?
The InChIKey is SSEKERWHDURIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-2-8-36(9-3-1)43-30-44(50-46(49-43)38-23-19-35(20-24-38)41-12-6-10-34-7-4-5-11-40(34)41)37-21-17-32(18-22-37)31-13-15-33(16-14-31)39-25-26-42-45(29-39)48-28-27-47-42/h1-30H.
What are the key properties of 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline?
6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]quinoxaline is sourced from PubChem (CID 146382687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).