2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline

C62H36F2N8 — CID 149181702

IUPAC2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
SMILESFc1ccc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9ccc(F)cc9)nc8c7n6)c5)nc4c3n2)cc1
InChIInChI=1S/C62H36F2N8/c63-45-16-12-37(13-17-45)55-29-51(41-8-2-24-65-33-41)47-20-22-49-53(43-10-4-26-67-35-43)31-57(71-61(49)59(47)69-55)39-6-1-7-40(28-39)58-32-54(44-11-5-27-68-36-44)50-23-21-48-52(42-9-3-25-66-34-42)30-56(70-60(48)62(50)72-58)38-14-18-46(64)19-15-38/h1-36H
InChIKeyXBBZCRIAQDLPNA-UHFFFAOYSA-N
MW931.02 g/mol
LogP15.07
Rot. Bonds8

About 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline

2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline (PubChem CID 149181702) has the molecular formula C62H36F2N8 and a molecular weight of 931.02 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
PubChem CID149181702
Molecular FormulaC62H36F2N8
Molecular Weight931.02 g/mol
Exact Mass930.30
IUPAC Name2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline
SMILESFc1ccc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9ccc(F)cc9)nc8c7n6)c5)nc4c3n2)cc1
InChIInChI=1S/C62H36F2N8/c63-45-16-12-37(13-17-45)55-29-51(41-8-2-24-65-33-41)47-20-22-49-53(43-10-4-26-67-35-43)31-57(71-61(49)59(47)69-55)39-6-1-7-40(28-39)58-32-54(44-11-5-27-68-36-44)50-23-21-48-52(42-9-3-25-66-34-42)30-56(70-60(48)62(50)72-58)38-14-18-46(64)19-15-38/h1-36H
InChIKeyXBBZCRIAQDLPNA-UHFFFAOYSA-N
XLogP15.07
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.02
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline with MolForge

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
1,10-Phenanthroline ferrous perchlorate
CID 84537
Eilatine
CID 149352
5-Phenyl-1,10-phenanthroline
CID 80258
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284
Benzo(g)quinoline, 4,4'-(1,2-ethanediyldi-4,1-piperazinediyl)bis-
CID 3951536
6,9,12,31,34,37,51,54,58,61-Decazaundecacyclo[40.8.4.417,26.14,50.114,18.125,29.139,43.045,53.048,52.020,60.023,59]dohexaconta-1(50),2,4(55),14(62),15,17,19,21,23,25,27,29(57),39(56),40,42,44,46,48,51,53,58,60-docosaene
CID 10700612

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The IUPAC name of 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline (CID 149181702) is 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The canonical SMILES for 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline is Fc1ccc(-c2cc(-c3cccnc3)c3ccc4c(-c5cccnc5)cc(-c5cccc(-c6cc(-c7cccnc7)c7ccc8c(-c9cccnc9)cc(-c9ccc(F)cc9)nc8c7n6)c5)nc4c3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
The InChIKey is XBBZCRIAQDLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F2N8/c63-45-16-12-37(13-17-45)55-29-51(41-8-2-24-65-33-41)47-20-22-49-53(43-10-4-26-67-35-43)31-57(71-61(49)59(47)69-55)39-6-1-7-40(28-39)58-32-54(44-11-5-27-68-36-44)50-23-21-48-52(42-9-3-25-66-34-42)30-56(70-60(48)62(50)72-58)38-14-18-46(64)19-15-38/h1-36H.
What are the key properties of 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline?
2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline has a molecular weight of 931.02 g/mol, XLogP of 15.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-9-[3-[9-(4-fluorophenyl)-4,7-dipyridin-3-yl-1,10-phenanthrolin-2-yl]phenyl]-4,7-dipyridin-3-yl-1,10-phenanthroline is sourced from PubChem (CID 149181702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).