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

C26H15ClN2O — CID 118544087

IUPAC2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C26H15ClN2O/c27-26-28-24(23-21-7-3-4-8-22(21)30-25(23)29-26)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H
InChIKeyGLGLEEYURRLYLB-UHFFFAOYSA-N
MW406.87 g/mol
LogP7.52
Rot. Bonds2

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

2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118544087) has the molecular formula C26H15ClN2O and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118544087
Molecular FormulaC26H15ClN2O
Molecular Weight406.87 g/mol
Exact Mass406.09
IUPAC Name2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C26H15ClN2O/c27-26-28-24(23-21-7-3-4-8-22(21)30-25(23)29-26)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H
InChIKeyGLGLEEYURRLYLB-UHFFFAOYSA-N
XLogP7.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-chloro-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-pyridin-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 160802720
2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 177283221
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
CID 170722413
CID 170722413
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-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
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
14-chloro-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-chloro-16-naphthalen-2-yl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-chloro-16-phenyl-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;2-chloro-4-thianthren-1-yl-[1]benzofuro[2,3-d]pyrimidine
CID 157065011
4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]-2-chloro-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 159786687
4-(4-naphthalen-2-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 118551323
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine (CID 118544087) is 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine is Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is GLGLEEYURRLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClN2O/c27-26-28-24(23-21-7-3-4-8-22(21)30-25(23)29-26)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H.
What are the key properties of 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 406.87 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118544087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).