4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C48H30N4O — CID 139406317

IUPAC4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4O/c1-2-12-32(13-3-1)43-30-44(36-16-10-15-35(26-36)42-18-8-9-23-49-42)52-48(51-43)39-28-37(34-21-20-31-11-4-5-14-33(31)25-34)27-38(29-39)40-22-24-50-46-41-17-6-7-19-45(41)53-47(40)46/h1-30H
InChIKeyWSMRKCGLNCXBMP-UHFFFAOYSA-N
MW678.80 g/mol
LogP12.32
Rot. Bonds6

About 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 139406317) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID139406317
Molecular FormulaC48H30N4O
Molecular Weight678.80 g/mol
Exact Mass678.24
IUPAC Name4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C48H30N4O/c1-2-12-32(13-3-1)43-30-44(36-16-10-15-35(26-36)42-18-8-9-23-49-42)52-48(51-43)39-28-37(34-21-20-31-11-4-5-14-33(31)25-34)27-38(29-39)40-22-24-50-46-41-17-6-7-19-45(41)53-47(40)46/h1-30H
InChIKeyWSMRKCGLNCXBMP-UHFFFAOYSA-N
XLogP12.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159713948
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159836909
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 134316067
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 165025501
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741

Frequently Asked Questions

What is the IUPAC name of 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 139406317) is 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is WSMRKCGLNCXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-2-12-32(13-3-1)43-30-44(36-16-10-15-35(26-36)42-18-8-9-23-49-42)52-48(51-43)39-28-37(34-21-20-31-11-4-5-14-33(31)25-34)27-38(29-39)40-22-24-50-46-41-17-6-7-19-45(41)53-47(40)46/h1-30H.
What are the key properties of 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 678.80 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 139406317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).