4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine

C48H30N2O — CID 167424212

IUPAC4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30H
InChIKeyTWSKMRVKUPUDAD-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine

4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine (PubChem CID 167424212) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
PubChem CID167424212
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30H
InChIKeyTWSKMRVKUPUDAD-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167144229
2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
CID 166975307
2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 174246012
4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
CID 167144260
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine
CID 167402239
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
CID 167424178
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
CID 169294610
2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 170016984
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167424063

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine (CID 167424212) is 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine?
The InChIKey is TWSKMRVKUPUDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine?
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine is sourced from PubChem (CID 167424212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).