5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline

C47H27N3O2 — CID 163538420

IUPAC5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)c4ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-13-28(14-3-1)47-48-39(27-40(49-47)37-22-12-21-35-32-17-8-10-23-41(32)51-45(35)37)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)38-20-9-11-24-42(38)52-46/h1-27H
InChIKeyQJNJEIKYKBSWAI-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline

5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163538420) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163538420
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)c4ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-13-28(14-3-1)47-48-39(27-40(49-47)37-22-12-21-35-32-17-8-10-23-41(32)51-45(35)37)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)38-20-9-11-24-42(38)52-46/h1-27H
InChIKeyQJNJEIKYKBSWAI-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
CID 163533431
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-dibenzofuran-4-yl-6-phenyl-2-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363862
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
4-dibenzofuran-4-yl-6-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168779102
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
10-[4-[4-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]-5-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 155018390

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline (CID 163538420) is 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4nc5c6ccccc6oc5c5ccccc45)c4ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is QJNJEIKYKBSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-13-28(14-3-1)47-48-39(27-40(49-47)37-22-12-21-35-32-17-8-10-23-41(32)51-45(35)37)31-25-26-34(30-16-5-4-15-29(30)31)43-33-18-6-7-19-36(33)46-44(50-43)38-20-9-11-24-42(38)52-46/h1-27H.
What are the key properties of 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline?
5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).