4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine

C40H23BrN2O2 — CID 147753692

IUPAC4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C40H23BrN2O2/c41-29-19-27(25-14-16-38-32(21-25)30-10-4-6-12-36(30)44-38)18-28(20-29)35-23-34(42-40(43-35)24-8-2-1-3-9-24)26-15-17-39-33(22-26)31-11-5-7-13-37(31)45-39/h1-23H
InChIKeyHCRSMCHTUHTZGN-UHFFFAOYSA-N
MW643.54 g/mol
LogP11.71
Rot. Bonds4

About 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine

4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine (PubChem CID 147753692) has the molecular formula C40H23BrN2O2 and a molecular weight of 643.54 g/mol. Its IUPAC name is 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
PubChem CID147753692
Molecular FormulaC40H23BrN2O2
Molecular Weight643.54 g/mol
Exact Mass642.09
IUPAC Name4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C40H23BrN2O2/c41-29-19-27(25-14-16-38-32(21-25)30-10-4-6-12-36(30)44-38)18-28(20-29)35-23-34(42-40(43-35)24-8-2-1-3-9-24)26-15-17-39-33(22-26)31-11-5-7-13-37(31)45-39/h1-23H
InChIKeyHCRSMCHTUHTZGN-UHFFFAOYSA-N
XLogP11.71
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.54
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
2-[3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 130262571

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine (CID 147753692) is 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine is Brc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The InChIKey is HCRSMCHTUHTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23BrN2O2/c41-29-19-27(25-14-16-38-32(21-25)30-10-4-6-12-36(30)44-38)18-28(20-29)35-23-34(42-40(43-35)24-8-2-1-3-9-24)26-15-17-39-33(22-26)31-11-5-7-13-37(31)45-39/h1-23H.
What are the key properties of 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine has a molecular weight of 643.54 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 147753692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).