4,5,6,7-tetramethyl-1,10-phenanthroline

C16H16N2 — CID 67115643

IUPAC4,5,6,7-tetramethyl-1,10-phenanthroline
SMILESCc1ccnc2c1c(C)c(C)c1c(C)ccnc12
InChIInChI=1S/C16H16N2/c1-9-5-7-17-15-13(9)11(3)12(4)14-10(2)6-8-18-16(14)15/h5-8H,1-4H3
InChIKeyQGVUZXSWJCPWKH-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.02
Rot. Bonds

About 4,5,6,7-tetramethyl-1,10-phenanthroline

4,5,6,7-tetramethyl-1,10-phenanthroline (PubChem CID 67115643) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-1,10-phenanthroline
PubChem CID67115643
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4,5,6,7-tetramethyl-1,10-phenanthroline
SMILESCc1ccnc2c1c(C)c(C)c1c(C)ccnc12
InChIInChI=1S/C16H16N2/c1-9-5-7-17-15-13(9)11(3)12(4)14-10(2)6-8-18-16(14)15/h5-8H,1-4H3
InChIKeyQGVUZXSWJCPWKH-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-1,10-phenanthroline?
The IUPAC name of 4,5,6,7-tetramethyl-1,10-phenanthroline (CID 67115643) is 4,5,6,7-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for 4,5,6,7-tetramethyl-1,10-phenanthroline?
The canonical SMILES for 4,5,6,7-tetramethyl-1,10-phenanthroline is Cc1ccnc2c1c(C)c(C)c1c(C)ccnc12.
What is the InChIKey of 4,5,6,7-tetramethyl-1,10-phenanthroline?
The InChIKey is QGVUZXSWJCPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-5-7-17-15-13(9)11(3)12(4)14-10(2)6-8-18-16(14)15/h5-8H,1-4H3.
What are the key properties of 4,5,6,7-tetramethyl-1,10-phenanthroline?
4,5,6,7-tetramethyl-1,10-phenanthroline has a molecular weight of 236.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 67115643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).