3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline

C44H24F2N8 — CID 74538788

IUPAC3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
SMILESFc1ccc(-n2c(-c3cccc(-c4nc5c6cccnc6c6ncccc6c5n4-c4ccc(F)cc4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C44H24F2N8/c45-27-12-16-29(17-13-27)53-41-33-10-4-22-49-37(33)35-31(8-2-20-47-35)39(41)51-43(53)25-6-1-7-26(24-25)44-52-40-32-9-3-21-48-36(32)38-34(11-5-23-50-38)42(40)54(44)30-18-14-28(46)15-19-30/h1-24H
InChIKeyXKCAGMGAOOTFAR-UHFFFAOYSA-N
MW702.73 g/mol
LogP10.17
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline

3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline (PubChem CID 74538788) has the molecular formula C44H24F2N8 and a molecular weight of 702.73 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
PubChem CID74538788
Molecular FormulaC44H24F2N8
Molecular Weight702.73 g/mol
Exact Mass702.21
IUPAC Name3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
SMILESFc1ccc(-n2c(-c3cccc(-c4nc5c6cccnc6c6ncccc6c5n4-c4ccc(F)cc4)c3)nc3c4cccnc4c4ncccc4c32)cc1
InChIInChI=1S/C44H24F2N8/c45-27-12-16-29(17-13-27)53-41-33-10-4-22-49-37(33)35-31(8-2-20-47-35)39(41)51-43(53)25-6-1-7-26(24-25)44-52-40-32-9-3-21-48-36(32)38-34(11-5-23-50-38)42(40)54(44)30-18-14-28(46)15-19-30/h1-24H
InChIKeyXKCAGMGAOOTFAR-UHFFFAOYSA-N
XLogP10.17
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.73
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Apto-253
CID 11960271
10-Phenyl-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
CID 4414550
2-Benzyl-7-(4-fluorophenyl)-8-(pyridin-4-yl)-3,6-dihydroimidazo[4,5-e]indole
CID 9844915
N-(2-methyl-5-(quinoxalin-2-yl)phenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11154615
1-(2-Phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451470
1-(2-Phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451484
3-Methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
CID 70648748
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566407
5,7-Difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566542
6-(1-ethylpiperidin-4-yl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114343
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(1-propan-2-ylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114458
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114467

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline (CID 74538788) is 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline is Fc1ccc(-n2c(-c3cccc(-c4nc5c6cccnc6c6ncccc6c5n4-c4ccc(F)cc4)c3)nc3c4cccnc4c4ncccc4c32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is XKCAGMGAOOTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F2N8/c45-27-12-16-29(17-13-27)53-41-33-10-4-22-49-37(33)35-31(8-2-20-47-35)39(41)51-43(53)25-6-1-7-26(24-25)44-52-40-32-9-3-21-48-36(32)38-34(11-5-23-50-38)42(40)54(44)30-18-14-28(46)15-19-30/h1-24H.
What are the key properties of 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline?
3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 702.73 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 74538788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).