4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine

C42H26N2O — CID 169048803

IUPAC4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)oc3c5ccccc5cc(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-28(13-4-1)36-24-31-17-9-10-18-34(31)41-40(36)35-22-21-33(25-39(35)45-41)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-27-11-7-8-16-30(27)23-32/h1-26H
InChIKeyYPBYTHYOLFEULL-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine

4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine (PubChem CID 169048803) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
PubChem CID169048803
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)oc3c5ccccc5cc(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-28(13-4-1)36-24-31-17-9-10-18-34(31)41-40(36)35-22-21-33(25-39(35)45-41)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-27-11-7-8-16-30(27)23-32/h1-26H
InChIKeyYPBYTHYOLFEULL-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155122129
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
CID 169048858
4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
CID 167143910
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133
4-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171583452
4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171585677
4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161385869

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine (CID 169048803) is 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine is c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)oc3c5ccccc5cc(-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine?
The InChIKey is YPBYTHYOLFEULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-12-28(13-4-1)36-24-31-17-9-10-18-34(31)41-40(36)35-22-21-33(25-39(35)45-41)38-26-37(43-42(44-38)29-14-5-2-6-15-29)32-20-19-27-11-7-8-16-30(27)23-32/h1-26H.
What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine?
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine is sourced from PubChem (CID 169048803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).