10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine

C45H28N4O2 — CID 154950145

IUPAC10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-11-30(12-3-1)45-47-37(28-38(48-45)36-15-10-14-35-34-13-4-7-18-41(34)51-44(35)36)32-25-31(29-21-23-46-24-22-29)26-33(27-32)49-39-16-5-8-19-42(39)50-43-20-9-6-17-40(43)49/h1-28H
InChIKeyNMHWPAMKTOXNQC-UHFFFAOYSA-N
MW656.75 g/mol
LogP12.01
Rot. Bonds5

About 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine

10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine (PubChem CID 154950145) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine
PubChem CID154950145
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4O2/c1-2-11-30(12-3-1)45-47-37(28-38(48-45)36-15-10-14-35-34-13-4-7-18-41(34)51-44(35)36)32-25-31(29-21-23-46-24-22-29)26-33(27-32)49-39-16-5-8-19-42(39)50-43-20-9-6-17-40(43)49/h1-28H
InChIKeyNMHWPAMKTOXNQC-UHFFFAOYSA-N
XLogP12.01
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171583144
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078890

Frequently Asked Questions

What is the IUPAC name of 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine (CID 154950145) is 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine is c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine?
The InChIKey is NMHWPAMKTOXNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-2-11-30(12-3-1)45-47-37(28-38(48-45)36-15-10-14-35-34-13-4-7-18-41(34)51-44(35)36)32-25-31(29-21-23-46-24-22-29)26-33(27-32)49-39-16-5-8-19-42(39)50-43-20-9-6-17-40(43)49/h1-28H.
What are the key properties of 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine?
10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine has a molecular weight of 656.75 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine is sourced from PubChem (CID 154950145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).