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

C46H28N2O — CID 174328148

IUPAC4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C46H28N2O/c1-4-12-32-23-35(20-17-29(32)9-1)40-26-38(27-44-45(40)39-15-7-8-16-43(39)49-44)46-47-41(36-21-18-30-10-2-5-13-33(30)24-36)28-42(48-46)37-22-19-31-11-3-6-14-34(31)25-37/h1-28H
InChIKeyKLQYMUQYTATYOG-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

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

4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine (PubChem CID 174328148) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
PubChem CID174328148
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C46H28N2O/c1-4-12-32-23-35(20-17-29(32)9-1)40-26-38(27-44-45(40)39-15-7-8-16-43(39)49-44)46-47-41(36-21-18-30-10-2-5-13-33(30)24-36)28-42(48-46)37-22-19-31-11-3-6-14-34(31)25-37/h1-28H
InChIKeyKLQYMUQYTATYOG-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
CID 174327806
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 174328262
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452

Frequently Asked Questions

What is the IUPAC name of 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine?
The IUPAC name of 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine (CID 174328148) is 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine?
The canonical SMILES for 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine?
The InChIKey is KLQYMUQYTATYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-4-12-32-23-35(20-17-29(32)9-1)40-26-38(27-44-45(40)39-15-7-8-16-43(39)49-44)46-47-41(36-21-18-30-10-2-5-13-33(30)24-36)28-42(48-46)37-22-19-31-11-3-6-14-34(31)25-37/h1-28H.
What are the key properties of 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine?
4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine is sourced from PubChem (CID 174328148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).