4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

C25H16N4O — CID 136703238

IUPAC4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C25H16N4O/c30-18-12-10-16(11-13-18)25-28-23-19-8-4-14-26-21(19)22-20(9-5-15-27-22)24(23)29(25)17-6-2-1-3-7-17/h1-15,30H
InChIKeyVOBWCMJQXJZWNP-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.49
Rot. Bonds2

About 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (PubChem CID 136703238) has the molecular formula C25H16N4O and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.

Molecular Properties

Compound Name4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
PubChem CID136703238
Molecular FormulaC25H16N4O
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C25H16N4O/c30-18-12-10-16(11-13-18)25-28-23-19-8-4-14-26-21(19)22-20(9-5-15-27-22)24(23)29(25)17-6-2-1-3-7-17/h1-15,30H
InChIKeyVOBWCMJQXJZWNP-UHFFFAOYSA-N
XLogP5.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[4-(4-Methyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120123
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
4-[3-(3-Methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol
CID 7338267
3-(2-(1H-benzo[d]imidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)-4-methylphenol
CID 44419954
3-(2-(1H-benzo[d]imidazol-1-yl)-6-((1-methylpiperidin-4-yl)methyl)pyrimidin-4-ylamino)-4-methylphenol
CID 44419981
3-(2-(1H-benzo[d]imidazol-1-yl)-6-(3-(piperidin-4-yl)propyl)pyrimidin-4-ylamino)-4-methylphenol
CID 44419988
3,5-Bis[(4-methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]quinolin-5-ium
CID 53257973
4-(1-Aminopyrazino[1,2-a]benzimidazol-3-yl)phenol
CID 164626019
2,6-Difluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168269366
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The IUPAC name of 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (CID 136703238) is 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.
What is the SMILES notation for 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The canonical SMILES for 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The InChIKey is VOBWCMJQXJZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O/c30-18-12-10-16(11-13-18)25-28-23-19-8-4-14-26-21(19)22-20(9-5-15-27-22)24(23)29(25)17-6-2-1-3-7-17/h1-15,30H.
What are the key properties of 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol has a molecular weight of 388.43 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylimidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is sourced from PubChem (CID 136703238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).