5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine

C51H38N4 — CID 139298885

IUPAC5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C51H38N4/c1-34-15-25-50(52-30-34)38-21-17-36(18-22-38)44-9-3-5-11-46(44)40-27-41(29-42(28-40)48-13-7-8-14-49(48)43-32-54-55-33-43)47-12-6-4-10-45(47)37-19-23-39(24-20-37)51-26-16-35(2)31-53-51/h3-33H,1-2H3,(H,54,55)
InChIKeyKXYQXCDLRKRATC-UHFFFAOYSA-N
MW706.89 g/mol
LogP13.15
Rot. Bonds8

About 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine

5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 139298885) has the molecular formula C51H38N4 and a molecular weight of 706.89 g/mol. Its IUPAC name is 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID139298885
Molecular FormulaC51H38N4
Molecular Weight706.89 g/mol
Exact Mass706.31
IUPAC Name5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C51H38N4/c1-34-15-25-50(52-30-34)38-21-17-36(18-22-38)44-9-3-5-11-46(44)40-27-41(29-42(28-40)48-13-7-8-14-49(48)43-32-54-55-33-43)47-12-6-4-10-45(47)37-19-23-39(24-20-37)51-26-16-35(2)31-53-51/h3-33H,1-2H3,(H,54,55)
InChIKeyKXYQXCDLRKRATC-UHFFFAOYSA-N
XLogP13.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 139298885) is 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine is Cc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4cn[nH]c4)c3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is KXYQXCDLRKRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4/c1-34-15-25-50(52-30-34)38-21-17-36(18-22-38)44-9-3-5-11-46(44)40-27-41(29-42(28-40)48-13-7-8-14-49(48)43-32-54-55-33-43)47-12-6-4-10-45(47)37-19-23-39(24-20-37)51-26-16-35(2)31-53-51/h3-33H,1-2H3,(H,54,55).
What are the key properties of 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 706.89 g/mol, XLogP of 13.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 139298885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).