2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline

C28H24N2 — CID 71202847

IUPAC2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(-c2cc(C)nc3c2ccc2c(-c4ccc(C)cc4)cc(C)nc23)cc1
InChIInChI=1S/C28H24N2/c1-17-5-9-21(10-6-17)25-15-19(3)29-27-23(25)13-14-24-26(16-20(4)30-28(24)27)22-11-7-18(2)8-12-22/h5-16H,1-4H3
InChIKeyLUODSNXEIGJWST-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.35
Rot. Bonds2

About 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline

2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline (PubChem CID 71202847) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
PubChem CID71202847
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(-c2cc(C)nc3c2ccc2c(-c4ccc(C)cc4)cc(C)nc23)cc1
InChIInChI=1S/C28H24N2/c1-17-5-9-21(10-6-17)25-15-19(3)29-27-23(25)13-14-24-26(16-20(4)30-28(24)27)22-11-7-18(2)8-12-22/h5-16H,1-4H3
InChIKeyLUODSNXEIGJWST-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.35
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-4,7-bis(4-methylphenyl)-1,10-phenanthroline?
The IUPAC name of 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline (CID 71202847) is 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline is Cc1ccc(-c2cc(C)nc3c2ccc2c(-c4ccc(C)cc4)cc(C)nc23)cc1.
What is the InChIKey of 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline?
The InChIKey is LUODSNXEIGJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-17-5-9-21(10-6-17)25-15-19(3)29-27-23(25)13-14-24-26(16-20(4)30-28(24)27)22-11-7-18(2)8-12-22/h5-16H,1-4H3.
What are the key properties of 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline?
2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline has a molecular weight of 388.51 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 71202847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).