bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline

C90H120N12 — CID 161472267

IUPACbis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2ccc3cccnc3c2n1.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C
InChIInChI=1S/4C13H10N2.2C9H10N2.10C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;2*1-7-8(2)11-6-4-3-5-9(11)10-7;10*1-2/h4*2-8H,1H3;2*3-6H,1-2H3;10*1-2H3
InChIKeyWDGCQXIENQJLPV-UHFFFAOYSA-N
MW1370.03 g/mol
LogP26.53
Rot. Bonds

About bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline

bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline (PubChem CID 161472267) has the molecular formula C90H120N12 and a molecular weight of 1370.03 g/mol. Its IUPAC name is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline.

Molecular Properties

Compound Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
PubChem CID161472267
Molecular FormulaC90H120N12
Molecular Weight1370.03 g/mol
Exact Mass1368.98
IUPAC Namebis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2ccc3cccnc3c2n1.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C
InChIInChI=1S/4C13H10N2.2C9H10N2.10C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;2*1-7-8(2)11-6-4-3-5-9(11)10-7;10*1-2/h4*2-8H,1H3;2*3-6H,1-2H3;10*1-2H3
InChIKeyWDGCQXIENQJLPV-UHFFFAOYSA-N
XLogP26.53
TPSA137.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.03
LogP ≤ 526.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline with MolForge

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Related Compounds

2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline
CID 159602270
2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
CID 158018927
ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
CID 158740820
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447
9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine
CID 163429526
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035
5-[3-(2,6-dimethyl-3-pyridinyl)-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 164781279
2-methyl-1,7-naphthyridine;3-methyl-1,7-naphthyridine;4-methyl-1,7-naphthyridine;5-methyl-1,7-naphthyridine;6-methyl-1,7-naphthyridine;8-methyl-1,7-naphthyridine
CID 159437852

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline?
The IUPAC name of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline (CID 161472267) is bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline.
What is the SMILES notation for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline?
The canonical SMILES for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccc2ccc3cccnc3c2n1.Cc1ccnc2c1ccc1cccnc12.Cc1cnc2c(ccc3cccnc32)c1.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.
What is the InChIKey of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline?
The InChIKey is WDGCQXIENQJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H10N2.2C9H10N2.10C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13;1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9;2*1-7-8(2)11-6-4-3-5-9(11)10-7;10*1-2/h4*2-8H,1H3;2*3-6H,1-2H3;10*1-2H3.
What are the key properties of bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline?
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline has a molecular weight of 1370.03 g/mol, XLogP of 26.53, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline is sourced from PubChem (CID 161472267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).