2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine

C27H17N3O — CID 155079086

IUPAC2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1cncc(-c2cccc(-c3ccnc(-c4cccc5c4oc4ccccc45)n3)c2)c1
InChIInChI=1S/C27H17N3O/c1-2-12-25-21(9-1)22-10-4-11-23(26(22)31-25)27-29-15-13-24(30-27)19-7-3-6-18(16-19)20-8-5-14-28-17-20/h1-17H
InChIKeyDTHWJHBWQVPADG-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.77
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine

2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155079086) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID155079086
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1cncc(-c2cccc(-c3ccnc(-c4cccc5c4oc4ccccc45)n3)c2)c1
InChIInChI=1S/C27H17N3O/c1-2-12-25-21(9-1)22-10-4-11-23(26(22)31-25)27-29-15-13-24(30-27)19-7-3-6-18(16-19)20-8-5-14-28-17-20/h1-17H
InChIKeyDTHWJHBWQVPADG-UHFFFAOYSA-N
XLogP6.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603249
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077939
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150397
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine (CID 155079086) is 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine is c1cncc(-c2cccc(-c3ccnc(-c4cccc5c4oc4ccccc45)n3)c2)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is DTHWJHBWQVPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-2-12-25-21(9-1)22-10-4-11-23(26(22)31-25)27-29-15-13-24(30-27)19-7-3-6-18(16-19)20-8-5-14-28-17-20/h1-17H.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine?
2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 399.45 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155079086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).