4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine

C49H32FN5 — CID 164817240

IUPAC4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)cn3)n2)nc1
InChIInChI=1S/C49H32FN5/c50-42-25-27-44(52-32-42)48-29-41(33-10-4-1-5-11-33)28-47(53-48)43-26-24-40(31-51-43)36-18-16-34(17-19-36)35-20-22-38(23-21-35)46-30-45(37-12-6-2-7-13-37)54-49(55-46)39-14-8-3-9-15-39/h1-32H
InChIKeyGMEQSZMLSLAGSG-UHFFFAOYSA-N
MW709.83 g/mol
LogP12.14
Rot. Bonds8

About 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine

4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 164817240) has the molecular formula C49H32FN5 and a molecular weight of 709.83 g/mol. Its IUPAC name is 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID164817240
Molecular FormulaC49H32FN5
Molecular Weight709.83 g/mol
Exact Mass709.26
IUPAC Name4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)cn3)n2)nc1
InChIInChI=1S/C49H32FN5/c50-42-25-27-44(52-32-42)48-29-41(33-10-4-1-5-11-33)28-47(53-48)43-26-24-40(31-51-43)36-18-16-34(17-19-36)35-20-22-38(23-21-35)46-30-45(37-12-6-2-7-13-37)54-49(55-46)39-14-8-3-9-15-39/h1-32H
InChIKeyGMEQSZMLSLAGSG-UHFFFAOYSA-N
XLogP12.14
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.83
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]isoquinoline
CID 164817039
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-2-yl-2-pyridinyl]isoquinoline
CID 164817245
4-[2-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]benzonitrile;2-[4-[4-[6-[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165082365
2,4-diphenyl-6-[6-[4-phenyl-6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine
CID 164816912
6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile
CID 164816985
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine (CID 164817240) is 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine is Fc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)cn3)n2)nc1.
What is the InChIKey of 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is GMEQSZMLSLAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32FN5/c50-42-25-27-44(52-32-42)48-29-41(33-10-4-1-5-11-33)28-47(53-48)43-26-24-40(31-51-43)36-18-16-34(17-19-36)35-20-22-38(23-21-35)46-30-45(37-12-6-2-7-13-37)54-49(55-46)39-14-8-3-9-15-39/h1-32H.
What are the key properties of 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 709.83 g/mol, XLogP of 12.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 164817240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).