4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

C75H67N3 — CID 153320023

IUPAC4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCCCC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)CCC)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)cc2)nc1
InChIInChI=1S/C75H67N3/c1-7-42-74(3,4)61-41-45-77-73(50-61)56-35-31-54(32-36-56)64-23-13-15-25-66(64)59-46-58(65-24-14-12-22-63(65)53-29-33-55(34-30-53)72-40-38-62(51-78-72)75(5,6)43-8-2)47-60(48-59)67-26-16-17-27-68(67)69-39-37-57(71-28-18-19-44-76-71)49-70(69)52-20-10-9-11-21-52/h9-41,44-51H,7-8,42-43H2,1-6H3
InChIKeyLGNYCDVXSQAAOL-UHFFFAOYSA-N
MW1010.38 g/mol
LogP20.70
Rot. Bonds16

About 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 153320023) has the molecular formula C75H67N3 and a molecular weight of 1010.38 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID153320023
Molecular FormulaC75H67N3
Molecular Weight1010.38 g/mol
Exact Mass1009.53
IUPAC Name4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCCCC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)CCC)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)cc2)nc1
InChIInChI=1S/C75H67N3/c1-7-42-74(3,4)61-41-45-77-73(50-61)56-35-31-54(32-36-56)64-23-13-15-25-66(64)59-46-58(65-24-14-12-22-63(65)53-29-33-55(34-30-53)72-40-38-62(51-78-72)75(5,6)43-8-2)47-60(48-59)67-26-16-17-27-68(67)69-39-37-57(71-28-18-19-44-76-71)49-70(69)52-20-10-9-11-21-52/h9-41,44-51H,7-8,42-43H2,1-6H3
InChIKeyLGNYCDVXSQAAOL-UHFFFAOYSA-N
XLogP20.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.38
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 153320023) is 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is CCCC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)CCC)ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)cc2)nc1.
What is the InChIKey of 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is LGNYCDVXSQAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H67N3/c1-7-42-74(3,4)61-41-45-77-73(50-61)56-35-31-54(32-36-56)64-23-13-15-25-66(64)59-46-58(65-24-14-12-22-63(65)53-29-33-55(34-30-53)72-40-38-62(51-78-72)75(5,6)43-8-2)47-60(48-59)67-26-16-17-27-68(67)69-39-37-57(71-28-18-19-44-76-71)49-70(69)52-20-10-9-11-21-52/h9-41,44-51H,7-8,42-43H2,1-6H3.
What are the key properties of 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 1010.38 g/mol, XLogP of 20.70, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 153320023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).