3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium

C24H14F2N2Re — CID 59104701

IUPAC3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
SMILESFc1ccc(-c2cnc3c(ccc4cc(-c5ccc(F)cc5)cnc43)c2)cc1.[Re]
InChIInChI=1S/C24H14F2N2.Re/c25-21-7-3-15(4-8-21)19-11-17-1-2-18-12-20(16-5-9-22(26)10-6-16)14-28-24(18)23(17)27-13-19;/h1-14H;
InChIKeyYNVOSWOXRUVYJJ-UHFFFAOYSA-N
MW554.59 g/mol
LogP6.39
Rot. Bonds2

About 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium

3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium (PubChem CID 59104701) has the molecular formula C24H14F2N2Re and a molecular weight of 554.59 g/mol. Its IUPAC name is 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium.

Molecular Properties

Compound Name3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
PubChem CID59104701
Molecular FormulaC24H14F2N2Re
Molecular Weight554.59 g/mol
Exact Mass555.07
IUPAC Name3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
SMILESFc1ccc(-c2cnc3c(ccc4cc(-c5ccc(F)cc5)cnc43)c2)cc1.[Re]
InChIInChI=1S/C24H14F2N2.Re/c25-21-7-3-15(4-8-21)19-11-17-1-2-18-12-20(16-5-9-22(26)10-6-16)14-28-24(18)23(17)27-13-19;/h1-14H;
InChIKeyYNVOSWOXRUVYJJ-UHFFFAOYSA-N
XLogP6.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 56.39
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

4-[8-(4-sulfanylphenyl)-1,10-phenanthrolin-3-yl]benzenethiol
CID 136600374
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
5-(4-fluorophenyl)furo[2,3-b]pyridine
CID 91045639
3-[4-[4-(3,5-difluorophenyl)-6-[4-(1,10-phenanthrolin-3-yl)phenyl]-1λ3,3λ3,5λ3-triiodacyclohexa-1,3,5-trien-2-yl]phenyl]-1,10-phenanthroline
CID 163637292
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733
7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904
2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
CID 131869651
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
CID 155765294
CID 155765294
3-bromo-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 155765300
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium?
The IUPAC name of 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium (CID 59104701) is 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium.
What is the SMILES notation for 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium?
The canonical SMILES for 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium is Fc1ccc(-c2cnc3c(ccc4cc(-c5ccc(F)cc5)cnc43)c2)cc1.[Re].
What is the InChIKey of 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium?
The InChIKey is YNVOSWOXRUVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N2.Re/c25-21-7-3-15(4-8-21)19-11-17-1-2-18-12-20(16-5-9-22(26)10-6-16)14-28-24(18)23(17)27-13-19;/h1-14H;.
What are the key properties of 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium?
3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium has a molecular weight of 554.59 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium is sourced from PubChem (CID 59104701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).