9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C28H17BrN2O — CID 170946775

IUPAC9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESBrc1cccc2oc3c(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)nc3c12
InChIInChI=1S/C28H17BrN2O/c29-22-12-7-13-23-24(22)26-27(32-23)25(20-10-5-2-6-11-20)30-28(31-26)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H
InChIKeyJBXJDLOTJFDPFP-UHFFFAOYSA-N
MW477.36 g/mol
LogP8.14
Rot. Bonds3

About 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170946775) has the molecular formula C28H17BrN2O and a molecular weight of 477.36 g/mol. Its IUPAC name is 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170946775
Molecular FormulaC28H17BrN2O
Molecular Weight477.36 g/mol
Exact Mass476.05
IUPAC Name9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESBrc1cccc2oc3c(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)nc3c12
InChIInChI=1S/C28H17BrN2O/c29-22-12-7-13-23-24(22)26-27(32-23)25(20-10-5-2-6-11-20)30-28(31-26)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H
InChIKeyJBXJDLOTJFDPFP-UHFFFAOYSA-N
XLogP8.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.36
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128802
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170947112
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700

Frequently Asked Questions

What is the IUPAC name of 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 170946775) is 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is Brc1cccc2oc3c(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)nc3c12.
What is the InChIKey of 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is JBXJDLOTJFDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrN2O/c29-22-12-7-13-23-24(22)26-27(32-23)25(20-10-5-2-6-11-20)30-28(31-26)21-16-14-19(15-17-21)18-8-3-1-4-9-18/h1-17H.
What are the key properties of 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 477.36 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-4-phenyl-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170946775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).