2,3,4,5,6,7-hexamethyl-1,8-phenanthroline

C18H20N2 — CID 171384241

IUPAC2,3,4,5,6,7-hexamethyl-1,8-phenanthroline
SMILESCc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12
InChIInChI=1S/C18H20N2/c1-9-10(2)16-11(3)12(4)17-14(6)19-8-7-15(17)18(16)20-13(9)5/h7-8H,1-6H3
InChIKeyBQIODHMXEPHLDO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.63
Rot. Bonds

About 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline

2,3,4,5,6,7-hexamethyl-1,8-phenanthroline (PubChem CID 171384241) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethyl-1,8-phenanthroline
PubChem CID171384241
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2,3,4,5,6,7-hexamethyl-1,8-phenanthroline
SMILESCc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12
InChIInChI=1S/C18H20N2/c1-9-10(2)16-11(3)12(4)17-14(6)19-8-7-15(17)18(16)20-13(9)5/h7-8H,1-6H3
InChIKeyBQIODHMXEPHLDO-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
1,5,7,8-tetramethylisoquinoline
CID 163662855
5,8-difluoro-1-methylisoquinoline
CID 125458346
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
1,10-dimethyl-2,9-phenanthroline
CID 118895257
2,3,4,5,6,8-hexamethyl-1,7-naphthyridine
CID 163852069
4,5,6,7-tetramethyl-1,10-phenanthroline
CID 67115643
4-bromo-8-methyl-1,7-naphthyridine
CID 103416470
8-fluoro-1-methylisoquinolin-5-amine
CID 115014664
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158374542
nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline
CID 162306648

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline?
The IUPAC name of 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline (CID 171384241) is 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline.
What is the SMILES notation for 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline?
The canonical SMILES for 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline is Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12.
What is the InChIKey of 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline?
The InChIKey is BQIODHMXEPHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-9-10(2)16-11(3)12(4)17-14(6)19-8-7-15(17)18(16)20-13(9)5/h7-8H,1-6H3.
What are the key properties of 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline?
2,3,4,5,6,7-hexamethyl-1,8-phenanthroline has a molecular weight of 264.37 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethyl-1,8-phenanthroline is sourced from PubChem (CID 171384241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).