2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

C56H46N4 — CID 59747250

IUPAC2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(n5)-c5cc(-c7ccc8c(n7)-c7ccccc7C8(C)C)ccc5C6(C)C)ccc3C4(C)C)cc2-c2ncccc21
InChIInChI=1S/C56H46N4/c1-53(2)38-13-10-9-12-34(38)50-43(53)21-24-46(58-50)32-16-19-40-36(29-32)52-45(55(40,5)6)23-26-48(60-52)33-17-20-41-37(30-33)51-44(56(41,7)8)22-25-47(59-51)31-15-18-39-35(28-31)49-42(54(39,3)4)14-11-27-57-49/h9-30H,1-8H3
InChIKeyWKBUPRMTHFUQML-UHFFFAOYSA-N
MW775.01 g/mol
LogP13.49
Rot. Bonds3

About 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine

2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747250) has the molecular formula C56H46N4 and a molecular weight of 775.01 g/mol. Its IUPAC name is 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747250
Molecular FormulaC56H46N4
Molecular Weight775.01 g/mol
Exact Mass774.37
IUPAC Name2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(n5)-c5cc(-c7ccc8c(n7)-c7ccccc7C8(C)C)ccc5C6(C)C)ccc3C4(C)C)cc2-c2ncccc21
InChIInChI=1S/C56H46N4/c1-53(2)38-13-10-9-12-34(38)50-43(53)21-24-46(58-50)32-16-19-40-36(29-32)52-45(55(40,5)6)23-26-48(60-52)33-17-20-41-37(30-33)51-44(56(41,7)8)22-25-47(59-51)31-15-18-39-35(28-31)49-42(54(39,3)4)14-11-27-57-49/h9-30H,1-8H3
InChIKeyWKBUPRMTHFUQML-UHFFFAOYSA-N
XLogP13.49
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747250) is 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccc(-c3ccc4c(n3)-c3cc(-c5ccc6c(n5)-c5cc(-c7ccc8c(n7)-c7ccccc7C8(C)C)ccc5C6(C)C)ccc3C4(C)C)cc2-c2ncccc21.
What is the InChIKey of 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is WKBUPRMTHFUQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-53(2)38-13-10-9-12-34(38)50-43(53)21-24-46(58-50)32-16-19-40-36(29-32)52-45(55(40,5)6)23-26-48(60-52)33-17-20-41-37(30-33)51-44(56(41,7)8)22-25-47(59-51)31-15-18-39-35(28-31)49-42(54(39,3)4)14-11-27-57-49/h9-30H,1-8H3.
What are the key properties of 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine?
2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 775.01 g/mol, XLogP of 13.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-8-[8-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethylindeno[1,2-b]pyridin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).