2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole

C41H25N3O2 — CID 147695392

IUPAC2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc8ccccc8o7)ccc6c45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C41H25N3O2/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)34-25-35(43-40(42-34)27-13-5-2-6-14-27)31-17-10-20-37-39(31)32-22-21-30(24-38(32)45-37)41-44-33-18-7-8-19-36(33)46-41/h1-25H
InChIKeyGRUJZLSMDGDQGU-UHFFFAOYSA-N
MW591.67 g/mol
LogP10.85
Rot. Bonds5

About 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole

2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole (PubChem CID 147695392) has the molecular formula C41H25N3O2 and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
PubChem CID147695392
Molecular FormulaC41H25N3O2
Molecular Weight591.67 g/mol
Exact Mass591.19
IUPAC Name2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc8ccccc8o7)ccc6c45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C41H25N3O2/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)34-25-35(43-40(42-34)27-13-5-2-6-14-27)31-17-10-20-37-39(31)32-22-21-30(24-38(32)45-37)41-44-33-18-7-8-19-36(33)46-41/h1-25H
InChIKeyGRUJZLSMDGDQGU-UHFFFAOYSA-N
XLogP10.85
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
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
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole (CID 147695392) is 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc8ccccc8o7)ccc6c45)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The InChIKey is GRUJZLSMDGDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O2/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)34-25-35(43-40(42-34)27-13-5-2-6-14-27)31-17-10-20-37-39(31)32-22-21-30(24-38(32)45-37)41-44-33-18-7-8-19-36(33)46-41/h1-25H.
What are the key properties of 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 147695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).