1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone

C42H30N2O — CID 126639001

IUPAC1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C42H30N2O/c1-29(45)34-24-35(39-18-10-8-16-37(39)32-20-22-41(43-27-32)30-12-4-2-5-13-30)26-36(25-34)40-19-11-9-17-38(40)33-21-23-42(44-28-33)31-14-6-3-7-15-31/h2-28H,1H3
InChIKeyYQAXOACIXOOKHN-UHFFFAOYSA-N
MW578.72 g/mol
LogP10.68
Rot. Bonds7

About 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone

1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone (PubChem CID 126639001) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
PubChem CID126639001
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC Name1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C42H30N2O/c1-29(45)34-24-35(39-18-10-8-16-37(39)32-20-22-41(43-27-32)30-12-4-2-5-13-30)26-36(25-34)40-19-11-9-17-38(40)33-21-23-42(44-28-33)31-14-6-3-7-15-31/h2-28H,1H3
InChIKeyYQAXOACIXOOKHN-UHFFFAOYSA-N
XLogP10.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
CID 161384544
CID 161384544
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
5-[2-[3,5-bis[2-[6-[3-(2-phenylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2-phenylethynyl)phenyl]pyridine
CID 153429602
1-azulen-2-ylethanone
CID 15255141
(Z)-5-hydroxy-1-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]hex-4-en-3-one
CID 137456988

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone (CID 126639001) is 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone is CC(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone?
The InChIKey is YQAXOACIXOOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-29(45)34-24-35(39-18-10-8-16-37(39)32-20-22-41(43-27-32)30-12-4-2-5-13-30)26-36(25-34)40-19-11-9-17-38(40)33-21-23-42(44-28-33)31-14-6-3-7-15-31/h2-28H,1H3.
What are the key properties of 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone?
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone has a molecular weight of 578.72 g/mol, XLogP of 10.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 126639001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).