4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C42H26N2O — CID 164829303

IUPAC4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c5n4)cc3)ccc2c1
InChIInChI=1S/C42H26N2O/c1-2-10-33-26-34(25-18-27(33)8-1)28-16-23-32(24-17-28)42-43-39(41-40(44-42)37-13-5-6-15-38(37)45-41)31-21-19-30(20-22-31)36-14-7-11-29-9-3-4-12-35(29)36/h1-26H
InChIKeyMNXYTDPXTSDJQZ-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 164829303) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID164829303
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c5n4)cc3)ccc2c1
InChIInChI=1S/C42H26N2O/c1-2-10-33-26-34(25-18-27(33)8-1)28-16-23-32(24-17-28)42-43-39(41-40(44-42)37-13-5-6-15-38(37)45-41)31-21-19-30(20-22-31)36-14-7-11-29-9-3-4-12-35(29)36/h1-26H
InChIKeyMNXYTDPXTSDJQZ-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092573
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
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-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092498
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
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
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-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 164829303) is 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c5n4)cc3)ccc2c1.
What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is MNXYTDPXTSDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-10-33-26-34(25-18-27(33)8-1)28-16-23-32(24-17-28)42-43-39(41-40(44-42)37-13-5-6-15-38(37)45-41)31-21-19-30(20-22-31)36-14-7-11-29-9-3-4-12-35(29)36/h1-26H.
What are the key properties of 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 164829303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).