2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

C61H72N2O — CID 90076879

IUPAC2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)c1cc(C(C)(C)C)ccc1O2
InChIInChI=1S/C61H72N2O/c1-53(2,3)39-27-31-49-45(35-39)61(46-36-40(54(4,5)6)28-32-50(46)64-49,51-23-19-21-47(62-51)37-25-29-41-43(33-37)57(11,12)59(15,16)55(41,7)8)52-24-20-22-48(63-52)38-26-30-42-44(34-38)58(13,14)60(17,18)56(42,9)10/h19-36H,1-18H3
InChIKeyCAHCUOMNEHJNCM-UHFFFAOYSA-N
MW849.26 g/mol
LogP16.08
Rot. Bonds4

About 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (PubChem CID 90076879) has the molecular formula C61H72N2O and a molecular weight of 849.26 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
PubChem CID90076879
Molecular FormulaC61H72N2O
Molecular Weight849.26 g/mol
Exact Mass848.56
IUPAC Name2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)c1cc(C(C)(C)C)ccc1O2
InChIInChI=1S/C61H72N2O/c1-53(2,3)39-27-31-49-45(35-39)61(46-36-40(54(4,5)6)28-32-50(46)64-49,51-23-19-21-47(62-51)37-25-29-41-43(33-37)57(11,12)59(15,16)55(41,7)8)52-24-20-22-48(63-52)38-26-30-42-44(34-38)58(13,14)60(17,18)56(42,9)10/h19-36H,1-18H3
InChIKeyCAHCUOMNEHJNCM-UHFFFAOYSA-N
XLogP16.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.26
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The IUPAC name of 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (CID 90076879) is 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.
What is the SMILES notation for 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The canonical SMILES for 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)(c1cccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)n1)c1cc(C(C)(C)C)ccc1O2.
What is the InChIKey of 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The InChIKey is CAHCUOMNEHJNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H72N2O/c1-53(2,3)39-27-31-49-45(35-39)61(46-36-40(54(4,5)6)28-32-50(46)64-49,51-23-19-21-47(62-51)37-25-29-41-43(33-37)57(11,12)59(15,16)55(41,7)8)52-24-20-22-48(63-52)38-26-30-42-44(34-38)58(13,14)60(17,18)56(42,9)10/h19-36H,1-18H3.
What are the key properties of 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine has a molecular weight of 849.26 g/mol, XLogP of 16.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-ditert-butyl-9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]xanthen-9-yl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is sourced from PubChem (CID 90076879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).