2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine

C43H33N5 — CID 139298890

IUPAC2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3cn[nH]c3)cc(-c3ccccc3-c3cn[nH]c3)c2)cc1C
InChIInChI=1S/C43H33N5/c1-28-19-41(30-14-16-31(17-15-30)43-13-7-8-18-44-43)42(20-29(28)2)34-22-32(37-9-3-5-11-39(37)35-24-45-46-25-35)21-33(23-34)38-10-4-6-12-40(38)36-26-47-48-27-36/h3-27H,1-2H3,(H,45,46)(H,47,48)
InChIKeyJRXNTVCBEPZZDV-UHFFFAOYSA-N
MW619.77 g/mol
LogP10.81
Rot. Bonds7

About 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine

2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine (PubChem CID 139298890) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
PubChem CID139298890
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3cn[nH]c3)cc(-c3ccccc3-c3cn[nH]c3)c2)cc1C
InChIInChI=1S/C43H33N5/c1-28-19-41(30-14-16-31(17-15-30)43-13-7-8-18-44-43)42(20-29(28)2)34-22-32(37-9-3-5-11-39(37)35-24-45-46-25-35)21-33(23-34)38-10-4-6-12-40(38)36-26-47-48-27-36/h3-27H,1-2H3,(H,45,46)(H,47,48)
InChIKeyJRXNTVCBEPZZDV-UHFFFAOYSA-N
XLogP10.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 510.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
CID 161355015
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-methyl-4-pyridinyl] trifluoromethanesulfonate
CID 166806132
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine (CID 139298890) is 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine is Cc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3ccccc3-c3cn[nH]c3)cc(-c3ccccc3-c3cn[nH]c3)c2)cc1C.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The InChIKey is JRXNTVCBEPZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-28-19-41(30-14-16-31(17-15-30)43-13-7-8-18-44-43)42(20-29(28)2)34-22-32(37-9-3-5-11-39(37)35-24-45-46-25-35)21-33(23-34)38-10-4-6-12-40(38)36-26-47-48-27-36/h3-27H,1-2H3,(H,45,46)(H,47,48).
What are the key properties of 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine has a molecular weight of 619.77 g/mol, XLogP of 10.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine is sourced from PubChem (CID 139298890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).