2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

C38H24N2O — CID 146648513

IUPAC2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C38H24N2O/c1-3-12-25(13-4-1)28-22-29(32-20-11-17-26-14-7-8-18-31(26)32)24-30(23-28)37-39-36(27-15-5-2-6-16-27)35-33-19-9-10-21-34(33)41-38(35)40-37/h1-24H
InChIKeyZJGLGAUFLOYDDB-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.20
Rot. Bonds4

About 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 146648513) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID146648513
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C38H24N2O/c1-3-12-25(13-4-1)28-22-29(32-20-11-17-26-14-7-8-18-31(26)32)24-30(23-28)37-39-36(27-15-5-2-6-16-27)35-33-19-9-10-21-34(33)41-38(35)40-37/h1-24H
InChIKeyZJGLGAUFLOYDDB-UHFFFAOYSA-N
XLogP10.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 129129194
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-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-(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-(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-[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-phenyl-4-[2-[2-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489892
2-(4-phenylphenyl)-4-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;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 158409214
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 146648513) is 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2cc(-c3nc(-c4ccccc4)c4c(n3)oc3ccccc34)cc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is ZJGLGAUFLOYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-3-12-25(13-4-1)28-22-29(32-20-11-17-26-14-7-8-18-31(26)32)24-30(23-28)37-39-36(27-15-5-2-6-16-27)35-33-19-9-10-21-34(33)41-38(35)40-37/h1-24H.
What are the key properties of 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 524.62 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 146648513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).