2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine

C56H48N6 — CID 71076194

IUPAC2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2ncccc2n1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-n1c(C(C)(C)C)nc2ncccc21
InChIInChI=1S/C56H48N6/c1-55(2,3)53-59-51-49(33-19-35-57-51)61(53)47-31-17-15-29-45(47)43-27-13-11-25-41(43)39-23-9-7-21-37(39)38-22-8-10-24-40(38)42-26-12-14-28-44(42)46-30-16-18-32-48(46)62-50-34-20-36-58-52(50)60-54(62)56(4,5)6/h7-36H,1-6H3
InChIKeyGBWVHPUIMQRDJE-UHFFFAOYSA-N
MW805.04 g/mol
LogP14.08
Rot. Bonds7

About 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine

2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 71076194) has the molecular formula C56H48N6 and a molecular weight of 805.04 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
PubChem CID71076194
Molecular FormulaC56H48N6
Molecular Weight805.04 g/mol
Exact Mass804.39
IUPAC Name2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2ncccc2n1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-n1c(C(C)(C)C)nc2ncccc21
InChIInChI=1S/C56H48N6/c1-55(2,3)53-59-51-49(33-19-35-57-51)61(53)47-31-17-15-29-45(47)43-27-13-11-25-41(43)39-23-9-7-21-37(39)38-22-8-10-24-40(38)42-26-12-14-28-44(42)46-30-16-18-32-48(46)62-50-34-20-36-58-52(50)60-54(62)56(4,5)6/h7-36H,1-6H3
InChIKeyGBWVHPUIMQRDJE-UHFFFAOYSA-N
XLogP14.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine (CID 71076194) is 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine is CC(C)(C)c1nc2ncccc2n1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-n1c(C(C)(C)C)nc2ncccc21.
What is the InChIKey of 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is GBWVHPUIMQRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N6/c1-55(2,3)53-59-51-49(33-19-35-57-51)61(53)47-31-17-15-29-45(47)43-27-13-11-25-41(43)39-23-9-7-21-37(39)38-22-8-10-24-40(38)42-26-12-14-28-44(42)46-30-16-18-32-48(46)62-50-34-20-36-58-52(50)60-54(62)56(4,5)6/h7-36H,1-6H3.
What are the key properties of 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine?
2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 805.04 g/mol, XLogP of 14.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-[2-[2-[2-[2-[2-(2-tert-butylimidazo[4,5-b]pyridin-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 71076194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).