2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline

C27H22N2 — CID 175385817

IUPAC2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
SMILESCc1cc(C)c(-c2cc3ccc4cccnc4c3nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C27H22N2/c1-17-14-18(2)24(19(3)15-17)23-16-22-12-11-21-10-7-13-28-26(21)27(22)29-25(23)20-8-5-4-6-9-20/h4-16H,1-3H3
InChIKeyOZGYBAMUYIUKQZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP7.04
Rot. Bonds2

About 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline

2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline (PubChem CID 175385817) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
PubChem CID175385817
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
SMILESCc1cc(C)c(-c2cc3ccc4cccnc4c3nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C27H22N2/c1-17-14-18(2)24(19(3)15-17)23-16-22-12-11-21-10-7-13-28-26(21)27(22)29-25(23)20-8-5-4-6-9-20/h4-16H,1-3H3
InChIKeyOZGYBAMUYIUKQZ-UHFFFAOYSA-N
XLogP7.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.04
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-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline (CID 175385817) is 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline is Cc1cc(C)c(-c2cc3ccc4cccnc4c3nc2-c2ccccc2)c(C)c1.
What is the InChIKey of 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The InChIKey is OZGYBAMUYIUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-17-14-18(2)24(19(3)15-17)23-16-22-12-11-21-10-7-13-28-26(21)27(22)29-25(23)20-8-5-4-6-9-20/h4-16H,1-3H3.
What are the key properties of 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline has a molecular weight of 374.49 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 175385817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).