2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine

C50H30N2O2 — CID 123621988

IUPAC2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-2-14-32(15-3-1)44-30-45(37-21-10-16-31-13-4-5-17-34(31)37)52-50(51-44)43-29-33(35-20-11-23-41-38-18-6-8-25-46(38)53-48(35)41)27-28-36(43)40-22-12-24-42-39-19-7-9-26-47(39)54-49(40)42/h1-30H
InChIKeyAKXCKFOZTPTZTR-UHFFFAOYSA-N
MW690.80 g/mol
LogP13.76
Rot. Bonds5

About 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine

2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 123621988) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID123621988
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC Name2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-2-14-32(15-3-1)44-30-45(37-21-10-16-31-13-4-5-17-34(31)37)52-50(51-44)43-29-33(35-20-11-23-41-38-18-6-8-25-46(38)53-48(35)41)27-28-36(43)40-22-12-24-42-39-19-7-9-26-47(39)54-49(40)42/h1-30H
InChIKeyAKXCKFOZTPTZTR-UHFFFAOYSA-N
XLogP13.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
2-[4-[6-[3-dibenzofuran-4-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]dibenzofuran-1-yl]phenyl]-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 130361249
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 146254883
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine (CID 123621988) is 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is AKXCKFOZTPTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-2-14-32(15-3-1)44-30-45(37-21-10-16-31-13-4-5-17-34(31)37)52-50(51-44)43-29-33(35-20-11-23-41-38-18-6-8-25-46(38)53-48(35)41)27-28-36(43)40-22-12-24-42-39-19-7-9-26-47(39)54-49(40)42/h1-30H.
What are the key properties of 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine?
2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 690.80 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 123621988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).