4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine

C58H37N3O — CID 171603571

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc(-c6ccccn6)c5)n4)cc32)cc1
InChIInChI=1S/C58H37N3O/c1-3-16-44(17-4-1)58(45-18-5-2-6-19-45)50-22-9-7-20-46(50)47-31-29-42(36-51(47)58)54-37-53(60-57(61-54)43-15-13-14-41(34-43)52-23-11-12-33-59-52)39-27-25-38(26-28-39)40-30-32-56-49(35-40)48-21-8-10-24-55(48)62-56/h1-37H
InChIKeyYJJVNEDYYHGVLP-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

About 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine (PubChem CID 171603571) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
PubChem CID171603571
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc(-c6ccccn6)c5)n4)cc32)cc1
InChIInChI=1S/C58H37N3O/c1-3-16-44(17-4-1)58(45-18-5-2-6-19-45)50-22-9-7-20-46(50)47-31-29-42(36-51(47)58)54-37-53(60-57(61-54)43-15-13-14-41(34-43)52-23-11-12-33-59-52)39-27-25-38(26-28-39)40-30-32-56-49(35-40)48-21-8-10-24-55(48)62-56/h1-37H
InChIKeyYJJVNEDYYHGVLP-UHFFFAOYSA-N
XLogP14.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
2-dibenzofuran-2-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 158042977
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenanthren-9-ylpyrimidine
CID 171603274
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-dibenzofuran-2-yl-6-(3,5-diphenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153288108

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine (CID 171603571) is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc(-c6ccccn6)c5)n4)cc32)cc1.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is YJJVNEDYYHGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-16-44(17-4-1)58(45-18-5-2-6-19-45)50-22-9-7-20-46(50)47-31-29-42(36-51(47)58)54-37-53(60-57(61-54)43-15-13-14-41(34-43)52-23-11-12-33-59-52)39-27-25-38(26-28-39)40-30-32-56-49(35-40)48-21-8-10-24-55(48)62-56/h1-37H.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 791.95 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 171603571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).