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

C57H40N4O — CID 139299057

IUPAC5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc5oc6ccccc6c5cc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C57H40N4O/c1-36-15-25-54(58-32-36)40-21-17-38(18-22-40)46-9-3-5-11-48(46)42-27-43(49-12-6-4-10-47(49)39-19-23-41(24-20-39)55-26-16-37(2)33-59-55)29-44(28-42)52-31-57-53(30-51(52)45-34-60-61-35-45)50-13-7-8-14-56(50)62-57/h3-35H,1-2H3,(H,60,61)
InChIKeyMDELIPWJFXZBQG-UHFFFAOYSA-N
MW796.97 g/mol
LogP15.05
Rot. Bonds8

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

5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine (PubChem CID 139299057) has the molecular formula C57H40N4O and a molecular weight of 796.97 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)dibenzofuran-3-yl]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)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine
PubChem CID139299057
Molecular FormulaC57H40N4O
Molecular Weight796.97 g/mol
Exact Mass796.32
IUPAC Name5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc5oc6ccccc6c5cc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C57H40N4O/c1-36-15-25-54(58-32-36)40-21-17-38(18-22-40)46-9-3-5-11-48(46)42-27-43(49-12-6-4-10-47(49)39-19-23-41(24-20-39)55-26-16-37(2)33-59-55)29-44(28-42)52-31-57-53(30-51(52)45-34-60-61-35-45)50-13-7-8-14-56(50)62-57/h3-35H,1-2H3,(H,60,61)
InChIKeyMDELIPWJFXZBQG-UHFFFAOYSA-N
XLogP15.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 515.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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)dibenzofuran-3-yl]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)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine (CID 139299057) is 5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]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)dibenzofuran-3-yl]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)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine is Cc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4)cc(-c4cc5oc6ccccc6c5cc4-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)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is MDELIPWJFXZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4O/c1-36-15-25-54(58-32-36)40-21-17-38(18-22-40)46-9-3-5-11-48(46)42-27-43(49-12-6-4-10-47(49)39-19-23-41(24-20-39)55-26-16-37(2)33-59-55)29-44(28-42)52-31-57-53(30-51(52)45-34-60-61-35-45)50-13-7-8-14-56(50)62-57/h3-35H,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-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine?
5-methyl-2-[4-[2-[3-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]-5-[2-(1H-pyrazol-4-yl)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 796.97 g/mol, XLogP of 15.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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)dibenzofuran-3-yl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 139299057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).