4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride

C97H51Cl3F10N8O20Re5-2 — CID 158356049

IUPAC4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cl.Cl.Cl.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccnc3c2ccc2c(-c4ccc(F)cc4)ccnc23)cc1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].[Re].[Re].[Re]
InChIInChI=1S/C24H14F2N2.C18H11FN2.C12H6F6N2.C12H10N.C11H7FN.20CO.3ClH.5Re/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16;19-14-6-3-12(4-7-14)15-9-11-21-18-16(15)8-5-13-2-1-10-20-17(13)18;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;20*1-2;;;;;;;;/h1-14H;1-11H;1-6H;2-7,9H,1H3;1-4,6-8H;;;;;;;;;;;;;;;;;;;;;3*1H;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLAUVOLGABUXIAO-UHFFFAOYSA-N
MW2875.88 g/mol
LogP21.21
Rot. Bonds6

About 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride

4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride (PubChem CID 158356049) has the molecular formula C97H51Cl3F10N8O20Re5-2 and a molecular weight of 2875.88 g/mol. Its IUPAC name is 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride.

Molecular Properties

Compound Name4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride
PubChem CID158356049
Molecular FormulaC97H51Cl3F10N8O20Re5-2
Molecular Weight2875.88 g/mol
Exact Mass2876.99
IUPAC Name4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride
SMILESCc1c[c-]c(-c2ccccn2)cc1.Cl.Cl.Cl.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccnc3c2ccc2c(-c4ccc(F)cc4)ccnc23)cc1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].[Re].[Re].[Re]
InChIInChI=1S/C24H14F2N2.C18H11FN2.C12H6F6N2.C12H10N.C11H7FN.20CO.3ClH.5Re/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16;19-14-6-3-12(4-7-14)15-9-11-21-18-16(15)8-5-13-2-1-10-20-17(13)18;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;20*1-2;;;;;;;;/h1-14H;1-11H;1-6H;2-7,9H,1H3;1-4,6-8H;;;;;;;;;;;;;;;;;;;;;3*1H;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLAUVOLGABUXIAO-UHFFFAOYSA-N
XLogP21.21
TPSA501.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002875.88
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride with MolForge

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Related Compounds

Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Octakis(palladium(2+));octakis(1,10-phenanthroline);octakis(trifluoromethanesulfonate);octaacetate;dihydrate
CID 139097437
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
[Cr(phen)3](OTf)2
CID 139137425
Bis(2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline);bis(copper(1+));bis(dichloromethane);4-(2-pyridin-4-ylethynyl)pyridine;bis(trifluoromethanesulfonate)
CID 139137867
Cu[1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethyl-phenyl)-urea]2Cl
CID 139138462
bis(1,10-phenanthroline);bis(terbium(3+));pentakis((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate);(Z)-6,6,6-trifluoro-2,2-dimethyl-5-oxohex-3-en-3-olate
CID 139144078

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride?
The IUPAC name of 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride (CID 158356049) is 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride.
What is the SMILES notation for 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride?
The canonical SMILES for 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride is Cc1c[c-]c(-c2ccccn2)cc1.Cl.Cl.Cl.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1ccc(-c2ccnc3c2ccc2c(-c4ccc(F)cc4)ccnc23)cc1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re].[Re].[Re].[Re].
What is the InChIKey of 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride?
The InChIKey is LAUVOLGABUXIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N2.C18H11FN2.C12H6F6N2.C12H10N.C11H7FN.20CO.3ClH.5Re/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16;19-14-6-3-12(4-7-14)15-9-11-21-18-16(15)8-5-13-2-1-10-20-17(13)18;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;20*1-2;;;;;;;;/h1-14H;1-11H;1-6H;2-7,9H,1H3;1-4,6-8H;;;;;;;;;;;;;;;;;;;;;3*1H;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride?
4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride has a molecular weight of 2875.88 g/mol, XLogP of 21.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-fluorophenyl)-1,10-phenanthroline;carbon monoxide;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-(4-fluorophenyl)-1,10-phenanthroline;2-(4-methylbenzene-6-id-1-yl)pyridine;rhenium;4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;trihydrochloride is sourced from PubChem (CID 158356049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).