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

C27H24N2O — CID 166969620

IUPAC2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)c2c(n1)oc1ccccc12
InChIInChI=1S/C27H24N2O/c1-4-27(2,3)26-28-24(23-21-15-8-9-16-22(21)30-25(23)29-26)20-14-10-13-19(17-20)18-11-6-5-7-12-18/h5-17H,4H2,1-3H3
InChIKeyMTQGMMKXKIFHEV-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.40
Rot. Bonds4

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

2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 166969620) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID166969620
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)c2c(n1)oc1ccccc12
InChIInChI=1S/C27H24N2O/c1-4-27(2,3)26-28-24(23-21-15-8-9-16-22(21)30-25(23)29-26)20-14-10-13-19(17-20)18-11-6-5-7-12-18/h5-17H,4H2,1-3H3
InChIKeyMTQGMMKXKIFHEV-UHFFFAOYSA-N
XLogP7.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-naphthalen-1-yl-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 129129194
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
2-(4-phenylphenyl)-4-[3-[3-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489786
2-[1-[3-(2-tert-butyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-2-methylpropan-2-yl]-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 166768200
4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628784
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
4-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628785
2-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628772
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489923
2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258102

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine (CID 166969620) is 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine is CCC(C)(C)c1nc(-c2cccc(-c3ccccc3)c2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is MTQGMMKXKIFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-4-27(2,3)26-28-24(23-21-15-8-9-16-22(21)30-25(23)29-26)20-14-10-13-19(17-20)18-11-6-5-7-12-18/h5-17H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 392.50 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 166969620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).