3,4,8,8-tetramethyl-1H-1,10-phenanthroline

C16H18N2 — CID 88519204

IUPAC3,4,8,8-tetramethyl-1H-1,10-phenanthroline
SMILESCC1=CNc2c3c(ccc2=C1C)=CC(C)(C)C=N3
InChIInChI=1S/C16H18N2/c1-10-8-17-15-13(11(10)2)6-5-12-7-16(3,4)9-18-14(12)15/h5-9,17H,1-4H3
InChIKeyNDILTDATCJBUED-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.71
Rot. Bonds

About 3,4,8,8-tetramethyl-1H-1,10-phenanthroline

3,4,8,8-tetramethyl-1H-1,10-phenanthroline (PubChem CID 88519204) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4,8,8-tetramethyl-1H-1,10-phenanthroline.

Molecular Properties

Compound Name3,4,8,8-tetramethyl-1H-1,10-phenanthroline
PubChem CID88519204
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3,4,8,8-tetramethyl-1H-1,10-phenanthroline
SMILESCC1=CNc2c3c(ccc2=C1C)=CC(C)(C)C=N3
InChIInChI=1S/C16H18N2/c1-10-8-17-15-13(11(10)2)6-5-12-7-16(3,4)9-18-14(12)15/h5-9,17H,1-4H3
InChIKeyNDILTDATCJBUED-UHFFFAOYSA-N
XLogP2.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,8,8-tetramethyl-1H-1,10-phenanthroline?
The IUPAC name of 3,4,8,8-tetramethyl-1H-1,10-phenanthroline (CID 88519204) is 3,4,8,8-tetramethyl-1H-1,10-phenanthroline.
What is the SMILES notation for 3,4,8,8-tetramethyl-1H-1,10-phenanthroline?
The canonical SMILES for 3,4,8,8-tetramethyl-1H-1,10-phenanthroline is CC1=CNc2c3c(ccc2=C1C)=CC(C)(C)C=N3.
What is the InChIKey of 3,4,8,8-tetramethyl-1H-1,10-phenanthroline?
The InChIKey is NDILTDATCJBUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10-8-17-15-13(11(10)2)6-5-12-7-16(3,4)9-18-14(12)15/h5-9,17H,1-4H3.
What are the key properties of 3,4,8,8-tetramethyl-1H-1,10-phenanthroline?
3,4,8,8-tetramethyl-1H-1,10-phenanthroline has a molecular weight of 238.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,8-tetramethyl-1H-1,10-phenanthroline is sourced from PubChem (CID 88519204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).