4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline

C23H20N2 — CID 57201559

IUPAC4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline
SMILESC=Cc1ccc(C)c(CCc2ccnc3c2ccc2cccnc23)c1
InChIInChI=1S/C23H20N2/c1-3-17-7-6-16(2)20(15-17)9-8-18-12-14-25-23-21(18)11-10-19-5-4-13-24-22(19)23/h3-7,10-15H,1,8-9H2,2H3
InChIKeyKAZWNBXGVIHUFG-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.52
Rot. Bonds4

About 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline

4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline (PubChem CID 57201559) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline
PubChem CID57201559
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline
SMILESC=Cc1ccc(C)c(CCc2ccnc3c2ccc2cccnc23)c1
InChIInChI=1S/C23H20N2/c1-3-17-7-6-16(2)20(15-17)9-8-18-12-14-25-23-21(18)11-10-19-5-4-13-24-22(19)23/h3-7,10-15H,1,8-9H2,2H3
InChIKeyKAZWNBXGVIHUFG-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.52
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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Related Compounds

8-(4-ethenyl-2-methylphenyl)quinoline
CID 129042704
3-ethenyl-1,10-phenanthroline
CID 58813469
2-(5-ethenyl-2-methylphenyl)ethanamine
CID 130050820
4-ethyl-2-methyl-1,10-phenanthroline
CID 71021976
N-methyl-1,10-phenanthrolin-4-amine;bis(1,10-phenanthroline);ruthenium
CID 140567742
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
1-(1,10-phenanthrolin-5-yl)propan-2-one
CID 57096123
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline?
The IUPAC name of 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline (CID 57201559) is 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline.
What is the SMILES notation for 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline?
The canonical SMILES for 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline is C=Cc1ccc(C)c(CCc2ccnc3c2ccc2cccnc23)c1.
What is the InChIKey of 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline?
The InChIKey is KAZWNBXGVIHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-3-17-7-6-16(2)20(15-17)9-8-18-12-14-25-23-21(18)11-10-19-5-4-13-24-22(19)23/h3-7,10-15H,1,8-9H2,2H3.
What are the key properties of 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline?
4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline has a molecular weight of 324.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethenyl-2-methylphenyl)ethyl]-1,10-phenanthroline is sourced from PubChem (CID 57201559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).