2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

C38H24N8 — CID 139075310

IUPAC2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/2C19H12N4/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h2*1-11H,(H,22,23)
InChIKeyREMLFDHMYADGDL-UHFFFAOYSA-N
MW592.67 g/mol
LogP8.65
Rot. Bonds2

About 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 139075310) has the molecular formula C38H24N8 and a molecular weight of 592.67 g/mol. Its IUPAC name is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID139075310
Molecular FormulaC38H24N8
Molecular Weight592.67 g/mol
Exact Mass592.21
IUPAC Name2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/2C19H12N4/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h2*1-11H,(H,22,23)
InChIKeyREMLFDHMYADGDL-UHFFFAOYSA-N
XLogP8.65
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
2-Phenylimidazo[4,5-c]quinoline
CID 10824264
6-methyl-2-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-1,3-benzodiazole
CID 11168481
Way-207024
CID 11496610
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761
7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11670972
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
Sdccggsk-0000286.P001
CID 22727427

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline (CID 139075310) is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline is c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is REMLFDHMYADGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12N4/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h2*1-11H,(H,22,23).
What are the key properties of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 592.67 g/mol, XLogP of 8.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 139075310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).