2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole

C27H17FN2 — CID 102194297

IUPAC2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESFc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H17FN2/c28-19-16-14-18(15-17-19)27-29-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)30(27)20-8-2-1-3-9-20/h1-17H
InChIKeyNUDMLIBDLWJXTH-UHFFFAOYSA-N
MW388.45 g/mol
LogP7.14
Rot. Bonds2

About 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole

2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole (PubChem CID 102194297) has the molecular formula C27H17FN2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
PubChem CID102194297
Molecular FormulaC27H17FN2
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC Name2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESFc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H17FN2/c28-19-16-14-18(15-17-19)27-29-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)30(27)20-8-2-1-3-9-20/h1-17H
InChIKeyNUDMLIBDLWJXTH-UHFFFAOYSA-N
XLogP7.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3H-Naphtho[1,2-d]imidazol-2-yl)-phenylamine
CID 24747023
2-(1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11508436
2-(1H-phenanthro[9,10-d]imidazol-2-yl)benzonitrile
CID 23146801
1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
CID 168289126
5,6-Dimethyl-2-(1-naphthyl)-1h-1,3-benzimidazole
CID 2731163
12H-Benz(5,6)isoindolo(2,1-A)benzimidazole
CID 252265
3-(2-(1H-Naphtho[2,3-d]imidazol-2-yl)ethyl)aniline
CID 1093227
1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
CID 2853195
1-[(2-Fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3499355
2-(3,4-Dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-A][1,3]benzimidazole
CID 4198422
3-fluoro-2-(1H-phenanthro[9,10-d]imidazol-2-yl)benzonitrile
CID 11566238
1,3-diethyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[f]benzimidazol-3-ium chloride
CID 15154443

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole (CID 102194297) is 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole is Fc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole?
The InChIKey is NUDMLIBDLWJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2/c28-19-16-14-18(15-17-19)27-29-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)30(27)20-8-2-1-3-9-20/h1-17H.
What are the key properties of 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole?
2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole has a molecular weight of 388.45 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 102194297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).