5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine

C37H30N2 — CID 59747274

IUPAC5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
SMILESCc1cc(-c2ccc3c(n2)-c2ccccc2C3(C)C)ccc1-c1ccc(-c2ccc3ccccc3n2)cc1C
InChIInChI=1S/C37H30N2/c1-23-21-26(34-19-15-25-9-5-8-12-33(25)38-34)13-16-28(23)29-17-14-27(22-24(29)2)35-20-18-32-36(39-35)30-10-6-7-11-31(30)37(32,3)4/h5-22H,1-4H3
InChIKeyDINKVMCFAUFUEC-UHFFFAOYSA-N
MW502.66 g/mol
LogP9.55
Rot. Bonds3

About 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine

5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine (PubChem CID 59747274) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
PubChem CID59747274
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
SMILESCc1cc(-c2ccc3c(n2)-c2ccccc2C3(C)C)ccc1-c1ccc(-c2ccc3ccccc3n2)cc1C
InChIInChI=1S/C37H30N2/c1-23-21-26(34-19-15-25-9-5-8-12-33(25)38-34)13-16-28(23)29-17-14-27(22-24(29)2)35-20-18-32-36(39-35)30-10-6-7-11-31(30)37(32,3)4/h5-22H,1-4H3
InChIKeyDINKVMCFAUFUEC-UHFFFAOYSA-N
XLogP9.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine with MolForge

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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
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
6,6-dimethyl-5-(2-methyl-4-quinolin-2-ylphenyl)phenanthridine
CID 70884385
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
CID 177115881

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine?
The IUPAC name of 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine (CID 59747274) is 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine?
The canonical SMILES for 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine is Cc1cc(-c2ccc3c(n2)-c2ccccc2C3(C)C)ccc1-c1ccc(-c2ccc3ccccc3n2)cc1C.
What is the InChIKey of 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine?
The InChIKey is DINKVMCFAUFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-23-21-26(34-19-15-25-9-5-8-12-33(25)38-34)13-16-28(23)29-17-14-27(22-24(29)2)35-20-18-32-36(39-35)30-10-6-7-11-31(30)37(32,3)4/h5-22H,1-4H3.
What are the key properties of 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine?
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine has a molecular weight of 502.66 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine is sourced from PubChem (CID 59747274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).