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

C57H42N4 — CID 139299058

IUPAC5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc(-c5ccccc5)ccc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C57H42N4/c1-38-16-28-56(58-34-38)43-22-18-41(19-23-43)50-12-6-8-14-52(50)46-30-47(53-15-9-7-13-51(53)42-20-24-44(25-21-42)57-29-17-39(2)35-59-57)32-48(31-46)55-33-45(40-10-4-3-5-11-40)26-27-54(55)49-36-60-61-37-49/h3-37H,1-2H3,(H,60,61)
InChIKeyBGUZLWNRFVWTIQ-UHFFFAOYSA-N
MW782.99 g/mol
LogP14.82
Rot. Bonds9

About 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 139299058) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID139299058
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc(-c5ccccc5)ccc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C57H42N4/c1-38-16-28-56(58-34-38)43-22-18-41(19-23-43)50-12-6-8-14-52(50)46-30-47(53-15-9-7-13-51(53)42-20-24-44(25-21-42)57-29-17-39(2)35-59-57)32-48(31-46)55-33-45(40-10-4-3-5-11-40)26-27-54(55)49-36-60-61-37-49/h3-37H,1-2H3,(H,60,61)
InChIKeyBGUZLWNRFVWTIQ-UHFFFAOYSA-N
XLogP14.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 514.82
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-[5-phenyl-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 139299058) is 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-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-[5-phenyl-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine is Cc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc(-c5ccccc5)ccc4-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is BGUZLWNRFVWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-38-16-28-56(58-34-38)43-22-18-41(19-23-43)50-12-6-8-14-52(50)46-30-47(53-15-9-7-13-51(53)42-20-24-44(25-21-42)57-29-17-39(2)35-59-57)32-48(31-46)55-33-45(40-10-4-3-5-11-40)26-27-54(55)49-36-60-61-37-49/h3-37H,1-2H3,(H,60,61).
What are the key properties of 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[5-phenyl-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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 782.99 g/mol, XLogP of 14.82, 9 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-[5-phenyl-2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 139299058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).