2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline

C18H12N4 — CID 101473917

IUPAC2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESC1=CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)=C1
InChIInChI=1S/C18H12N4/c1-2-6-11(5-1)18-21-16-12-7-3-9-19-14(12)15-13(17(16)22-18)8-4-10-20-15/h1-5,7-10H,6H2,(H,21,22)
InChIKeyCVBBGHWODCGMBO-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.00
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline

2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 101473917) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID101473917
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESC1=CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)=C1
InChIInChI=1S/C18H12N4/c1-2-6-11(5-1)18-21-16-12-7-3-9-19-14(12)15-13(17(16)22-18)8-4-10-20-15/h1-5,7-10H,6H2,(H,21,22)
InChIKeyCVBBGHWODCGMBO-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
CID 139203985
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline (CID 101473917) is 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline is C1=CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)=C1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is CVBBGHWODCGMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-2-6-11(5-1)18-21-16-12-7-3-9-19-14(12)15-13(17(16)22-18)8-4-10-20-15/h1-5,7-10H,6H2,(H,21,22).
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 284.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 101473917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).