8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline

C28H24N2O — CID 86064134

IUPAC8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1
InChIInChI=1S/C28H24N2O/c1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20/h5-16H,1-4H3
InChIKeyGYVVIONFMYCUKC-UHFFFAOYSA-N
MW404.51 g/mol
LogP7.05
Rot. Bonds3

About 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline

8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline (PubChem CID 86064134) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline
PubChem CID86064134
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1
InChIInChI=1S/C28H24N2O/c1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20/h5-16H,1-4H3
InChIKeyGYVVIONFMYCUKC-UHFFFAOYSA-N
XLogP7.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-N-(quinolin-7-ylmethyl)piperidin-3-amine
CID 23647858
8-[4-[4-[4-[3-(Azepan-1-yl)propoxy]phenyl]butyl]piperazin-1-yl]quinoline
CID 134136763
8-[4-[3-[4-[3-(Azepan-1-yl)propoxy]phenyl]propyl]piperazin-1-yl]quinoline
CID 134139893
N4-Benzo(g)quinolin-4-yl-N1-(6-methoxy-8-quinolyl)pentane-1,4-diamine
CID 182816
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinoxalin-6-yl-ethyl)-amine
CID 10546538
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-6-yl-ethyl)-amine
CID 10713569

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The IUPAC name of 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline (CID 86064134) is 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The canonical SMILES for 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline is COc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
The InChIKey is GYVVIONFMYCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20/h5-16H,1-4H3.
What are the key properties of 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline?
8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline has a molecular weight of 404.51 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 86064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).