2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C23H16N2O — CID 130266426

IUPAC2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)c2oc3ccccc3c2n1
InChIInChI=1S/C23H16N2O/c1-15-24-21(23-22(25-15)19-9-5-6-10-20(19)26-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyMZBDYMLWHJGZCW-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.02
Rot. Bonds2

About 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 130266426) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID130266426
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)c2oc3ccccc3c2n1
InChIInChI=1S/C23H16N2O/c1-15-24-21(23-22(25-15)19-9-5-6-10-20(19)26-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyMZBDYMLWHJGZCW-UHFFFAOYSA-N
XLogP6.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.02
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
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
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
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
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
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
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-(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-[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 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 130266426) is 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(-c2ccc(-c3ccccc3)cc2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is MZBDYMLWHJGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-24-21(23-22(25-15)19-9-5-6-10-20(19)26-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 336.39 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 130266426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).