2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine

C59H35N3O2 — CID 130262121

IUPAC2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C59H35N3O2/c1-2-14-36(15-3-1)51-35-52(56-47-20-6-4-18-45(47)55(37-28-30-60-31-29-37)46-19-5-7-21-48(46)56)62-59(61-51)40-33-38(41-22-12-24-49-43-16-8-10-26-53(43)63-57(41)49)32-39(34-40)42-23-13-25-50-44-17-9-11-27-54(44)64-58(42)50/h1-35H
InChIKeyUTPGFIJWDGZFGT-UHFFFAOYSA-N
MW817.95 g/mol
LogP15.98
Rot. Bonds6

About 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine (PubChem CID 130262121) has the molecular formula C59H35N3O2 and a molecular weight of 817.95 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine
PubChem CID130262121
Molecular FormulaC59H35N3O2
Molecular Weight817.95 g/mol
Exact Mass817.27
IUPAC Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C59H35N3O2/c1-2-14-36(15-3-1)51-35-52(56-47-20-6-4-18-45(47)55(37-28-30-60-31-29-37)46-19-5-7-21-48(46)56)62-59(61-51)40-33-38(41-22-12-24-49-43-16-8-10-26-53(43)63-57(41)49)32-39(34-40)42-23-13-25-50-44-17-9-11-27-54(44)64-58(42)50/h1-35H
InChIKeyUTPGFIJWDGZFGT-UHFFFAOYSA-N
XLogP15.98
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171583144
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
CID 130263182
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine (CID 130262121) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine?
The InChIKey is UTPGFIJWDGZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O2/c1-2-14-36(15-3-1)51-35-52(56-47-20-6-4-18-45(47)55(37-28-30-60-31-29-37)46-19-5-7-21-48(46)56)62-59(61-51)40-33-38(41-22-12-24-49-43-16-8-10-26-53(43)63-57(41)49)32-39(34-40)42-23-13-25-50-44-17-9-11-27-54(44)64-58(42)50/h1-35H.
What are the key properties of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine?
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine has a molecular weight of 817.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine is sourced from PubChem (CID 130262121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).