5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine

C41H28N4 — CID 59747209

IUPAC5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3ccc4ccccc4n3)cc2-c2nc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c21
InChIInChI=1S/C41H28N4/c1-41(2)33-17-15-28(37-18-16-25-9-3-8-14-36(25)44-37)21-32(33)40-39(41)31(29-19-26-10-4-6-12-34(26)42-23-29)22-38(45-40)30-20-27-11-5-7-13-35(27)43-24-30/h3-24H,1-2H3
InChIKeySRPOPKXKPACEJM-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.03
Rot. Bonds3

About 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine

5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine (PubChem CID 59747209) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
PubChem CID59747209
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine
SMILESCC1(C)c2ccc(-c3ccc4ccccc4n3)cc2-c2nc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c21
InChIInChI=1S/C41H28N4/c1-41(2)33-17-15-28(37-18-16-25-9-3-8-14-36(25)44-37)21-32(33)40-39(41)31(29-19-26-10-4-6-12-34(26)42-23-29)22-38(45-40)30-20-27-11-5-7-13-35(27)43-24-30/h3-24H,1-2H3
InChIKeySRPOPKXKPACEJM-UHFFFAOYSA-N
XLogP10.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
CID 165020790
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
8,8-dimethyl-4,12-di(quinolin-6-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516892
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167568
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine?
The IUPAC name of 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine (CID 59747209) is 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine?
The canonical SMILES for 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine is CC1(C)c2ccc(-c3ccc4ccccc4n3)cc2-c2nc(-c3cnc4ccccc4c3)cc(-c3cnc4ccccc4c3)c21.
What is the InChIKey of 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine?
The InChIKey is SRPOPKXKPACEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-41(2)33-17-15-28(37-18-16-25-9-3-8-14-36(25)44-37)21-32(33)40-39(41)31(29-19-26-10-4-6-12-34(26)42-23-29)22-38(45-40)30-20-27-11-5-7-13-35(27)43-24-30/h3-24H,1-2H3.
What are the key properties of 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine?
5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine has a molecular weight of 576.70 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-quinolin-2-yl-2,4-di(quinolin-3-yl)indeno[1,2-b]pyridine is sourced from PubChem (CID 59747209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).