4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine

C47H31N3 — CID 118313935

IUPAC4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-16-32(17-4-1)43-31-44(37-23-8-7-22-36(37)42-28-13-14-29-48-42)50-47(49-43)35-21-15-20-34(30-35)46-40-26-11-9-24-38(40)45(33-18-5-2-6-19-33)39-25-10-12-27-41(39)46/h1-31H
InChIKeyALCXRUHERPWLLG-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine

4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 118313935) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
PubChem CID118313935
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-16-32(17-4-1)43-31-44(37-23-8-7-22-36(37)42-28-13-14-29-48-42)50-47(49-43)35-21-15-20-34(30-35)46-40-26-11-9-24-38(40)45(33-18-5-2-6-19-33)39-25-10-12-27-41(39)46/h1-31H
InChIKeyALCXRUHERPWLLG-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136
3-[6-[3-(10-phenylanthracen-9-yl)phenyl]-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]quinoline
CID 118314117
2-phenyl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 118314131
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262131
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 159959280
4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314097
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 167177836
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130263187

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 118313935) is 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is ALCXRUHERPWLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-16-32(17-4-1)43-31-44(37-23-8-7-22-36(37)42-28-13-14-29-48-42)50-47(49-43)35-21-15-20-34(30-35)46-40-26-11-9-24-38(40)45(33-18-5-2-6-19-33)39-25-10-12-27-41(39)46/h1-31H.
What are the key properties of 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?
4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 118313935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).