2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine

C38H24N2O — CID 167402692

IUPAC2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C38H24N2O/c1-3-12-26(13-4-1)33-24-34(27-14-5-2-6-15-27)40-38(39-33)32-22-30(29-20-19-25-11-7-8-16-28(25)21-29)23-36-37(32)31-17-9-10-18-35(31)41-36/h1-24H
InChIKeyQMVSTYPKEJKQBX-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.20
Rot. Bonds4

About 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine

2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine (PubChem CID 167402692) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
PubChem CID167402692
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C38H24N2O/c1-3-12-26(13-4-1)33-24-34(27-14-5-2-6-15-27)40-38(39-33)32-22-30(29-20-19-25-11-7-8-16-28(25)21-29)23-36-37(32)31-17-9-10-18-35(31)41-36/h1-24H
InChIKeyQMVSTYPKEJKQBX-UHFFFAOYSA-N
XLogP10.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 158583534
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
CID 174327806
4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
CID 174328148
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 167402011

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine (CID 167402692) is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine?
The InChIKey is QMVSTYPKEJKQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-3-12-26(13-4-1)33-24-34(27-14-5-2-6-15-27)40-38(39-33)32-22-30(29-20-19-25-11-7-8-16-28(25)21-29)23-36-37(32)31-17-9-10-18-35(31)41-36/h1-24H.
What are the key properties of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine?
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine has a molecular weight of 524.62 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 167402692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).