1,3,8,10-tetramethyl-2,9-phenanthroline

C16H16N2 — CID 118895261

IUPAC1,3,8,10-tetramethyl-2,9-phenanthroline
SMILESCc1cc2ccc3cc(C)nc(C)c3c2c(C)n1
InChIInChI=1S/C16H16N2/c1-9-7-13-5-6-14-8-10(2)18-12(4)16(14)15(13)11(3)17-9/h5-8H,1-4H3
InChIKeyYSYRVXZYPNDONK-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.02
Rot. Bonds

About 1,3,8,10-tetramethyl-2,9-phenanthroline

1,3,8,10-tetramethyl-2,9-phenanthroline (PubChem CID 118895261) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,3,8,10-tetramethyl-2,9-phenanthroline.

Molecular Properties

Compound Name1,3,8,10-tetramethyl-2,9-phenanthroline
PubChem CID118895261
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1,3,8,10-tetramethyl-2,9-phenanthroline
SMILESCc1cc2ccc3cc(C)nc(C)c3c2c(C)n1
InChIInChI=1S/C16H16N2/c1-9-7-13-5-6-14-8-10(2)18-12(4)16(14)15(13)11(3)17-9/h5-8H,1-4H3
InChIKeyYSYRVXZYPNDONK-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 1,3,8,10-tetramethyl-2,9-phenanthroline?
The IUPAC name of 1,3,8,10-tetramethyl-2,9-phenanthroline (CID 118895261) is 1,3,8,10-tetramethyl-2,9-phenanthroline.
What is the SMILES notation for 1,3,8,10-tetramethyl-2,9-phenanthroline?
The canonical SMILES for 1,3,8,10-tetramethyl-2,9-phenanthroline is Cc1cc2ccc3cc(C)nc(C)c3c2c(C)n1.
What is the InChIKey of 1,3,8,10-tetramethyl-2,9-phenanthroline?
The InChIKey is YSYRVXZYPNDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-7-13-5-6-14-8-10(2)18-12(4)16(14)15(13)11(3)17-9/h5-8H,1-4H3.
What are the key properties of 1,3,8,10-tetramethyl-2,9-phenanthroline?
1,3,8,10-tetramethyl-2,9-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 1,3,8,10-tetramethyl-2,9-phenanthroline is sourced from PubChem (CID 118895261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).