4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine

C50H32N2O — CID 171585677

IUPAC4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-16-33(17-5-1)37-28-38(44-31-36-22-10-11-24-41(36)49-48(44)43-26-14-15-27-47(43)53-49)30-39(29-37)45-32-46(52-50(51-45)35-20-8-3-9-21-35)42-25-13-12-23-40(42)34-18-6-2-7-19-34/h1-32H
InChIKeyJLEQARUSWVIXNA-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine

4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 171585677) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID171585677
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-16-33(17-5-1)37-28-38(44-31-36-22-10-11-24-41(36)49-48(44)43-26-14-15-27-47(43)53-49)30-39(29-37)45-32-46(52-50(51-45)35-20-8-3-9-21-35)42-25-13-12-23-40(42)34-18-6-2-7-19-34/h1-32H
InChIKeyJLEQARUSWVIXNA-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(9,9-dimethylfluoren-2-yl)-6-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171585610
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 155078757
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
CID 169048803
4-(9-methyl-9-phenylfluoren-4-yl)-6-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenylpyrimidine
CID 171603332
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine (CID 171585677) is 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is JLEQARUSWVIXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-4-16-33(17-5-1)37-28-38(44-31-36-22-10-11-24-41(36)49-48(44)43-26-14-15-27-47(43)53-49)30-39(29-37)45-32-46(52-50(51-45)35-20-8-3-9-21-35)42-25-13-12-23-40(42)34-18-6-2-7-19-34/h1-32H.
What are the key properties of 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine?
4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphtho[1,2-b][1]benzofuran-6-yl-5-phenylphenyl)-2-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 171585677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).