2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline

C26H20N2 — CID 23500008

IUPAC2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline
SMILESCc1ccc2c(-c3ccccc3)cc3c(-c4ccccc4)cc(C)nc3c2n1
InChIInChI=1S/C26H20N2/c1-17-13-14-21-23(20-11-7-4-8-12-20)16-24-22(19-9-5-3-6-10-19)15-18(2)28-26(24)25(21)27-17/h3-16H,1-2H3
InChIKeyQTNRAQIUGLMWNO-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.73
Rot. Bonds2

About 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline

2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline (PubChem CID 23500008) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline
PubChem CID23500008
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline
SMILESCc1ccc2c(-c3ccccc3)cc3c(-c4ccccc4)cc(C)nc3c2n1
InChIInChI=1S/C26H20N2/c1-17-13-14-21-23(20-11-7-4-8-12-20)16-24-22(19-9-5-3-6-10-19)15-18(2)28-26(24)25(21)27-17/h3-16H,1-2H3
InChIKeyQTNRAQIUGLMWNO-UHFFFAOYSA-N
XLogP6.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.73
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 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline?
The IUPAC name of 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline (CID 23500008) is 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline is Cc1ccc2c(-c3ccccc3)cc3c(-c4ccccc4)cc(C)nc3c2n1.
What is the InChIKey of 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline?
The InChIKey is QTNRAQIUGLMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-17-13-14-21-23(20-11-7-4-8-12-20)16-24-22(19-9-5-3-6-10-19)15-18(2)28-26(24)25(21)27-17/h3-16H,1-2H3.
What are the key properties of 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline?
2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline has a molecular weight of 360.46 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-4,6-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 23500008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).