4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine

C50H32N2O — CID 171585257

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-15-33(16-5-1)36-29-37(40-24-14-25-45-44-23-12-13-26-48(44)53-49(40)45)31-38(30-36)46-32-47(52-50(51-46)35-19-8-3-9-20-35)43-28-27-39(34-17-6-2-7-18-34)41-21-10-11-22-42(41)43/h1-32H
InChIKeyVVXSMCSLHHVDLW-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 171585257) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
PubChem CID171585257
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-4-15-33(16-5-1)36-29-37(40-24-14-25-45-44-23-12-13-26-48(44)53-49(40)45)31-38(30-36)46-32-47(52-50(51-46)35-19-8-3-9-20-35)43-28-27-39(34-17-6-2-7-18-34)41-21-10-11-22-42(41)43/h1-32H
InChIKeyVVXSMCSLHHVDLW-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
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
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-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (CID 171585257) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is VVXSMCSLHHVDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-4-15-33(16-5-1)36-29-37(40-24-14-25-45-44-23-12-13-26-48(44)53-49(40)45)31-38(30-36)46-32-47(52-50(51-46)35-19-8-3-9-20-35)43-28-27-39(34-17-6-2-7-18-34)41-21-10-11-22-42(41)43/h1-32H.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)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-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 171585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).