2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline

C50H32N4 — CID 153244283

IUPAC2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-2-10-33(11-3-1)36-18-22-37(23-19-36)48-49(52-45-17-9-8-16-44(45)51-48)38-24-26-39(27-25-38)50-53-46(42-28-20-34-12-4-6-14-40(34)30-42)32-47(54-50)43-29-21-35-13-5-7-15-41(35)31-43/h1-32H
InChIKeyWSBLANGCCJJZAH-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.73
Rot. Bonds6

About 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline

2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline (PubChem CID 153244283) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline.

Molecular Properties

Compound Name2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
PubChem CID153244283
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-2-10-33(11-3-1)36-18-22-37(23-19-36)48-49(52-45-17-9-8-16-44(45)51-48)38-24-26-39(27-25-38)50-53-46(42-28-20-34-12-4-6-14-40(34)30-42)32-47(54-50)43-29-21-35-13-5-7-15-41(35)31-43/h1-32H
InChIKeyWSBLANGCCJJZAH-UHFFFAOYSA-N
XLogP12.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 164811038
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
CID 152941236
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline?
The IUPAC name of 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline (CID 153244283) is 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline.
What is the SMILES notation for 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline?
The canonical SMILES for 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline is c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline?
The InChIKey is WSBLANGCCJJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-10-33(11-3-1)36-18-22-37(23-19-36)48-49(52-45-17-9-8-16-44(45)51-48)38-24-26-39(27-25-38)50-53-46(42-28-20-34-12-4-6-14-40(34)30-42)32-47(54-50)43-29-21-35-13-5-7-15-41(35)31-43/h1-32H.
What are the key properties of 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline?
2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline has a molecular weight of 688.83 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline is sourced from PubChem (CID 153244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).