2-phenanthren-1-yl-5-phenyl-1H-imidazole

C23H16N2 — CID 174638740

IUPAC2-phenanthren-1-yl-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(-c3cccc4c3ccc3ccccc34)[nH]2)cc1
InChIInChI=1S/C23H16N2/c1-2-8-17(9-3-1)22-15-24-23(25-22)21-12-6-11-19-18-10-5-4-7-16(18)13-14-20(19)21/h1-15H,(H,24,25)
InChIKeyAFUDSKNLZCOJKX-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.05
Rot. Bonds2

About 2-phenanthren-1-yl-5-phenyl-1H-imidazole

2-phenanthren-1-yl-5-phenyl-1H-imidazole (PubChem CID 174638740) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-phenanthren-1-yl-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-phenanthren-1-yl-5-phenyl-1H-imidazole
PubChem CID174638740
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name2-phenanthren-1-yl-5-phenyl-1H-imidazole
SMILESc1ccc(-c2cnc(-c3cccc4c3ccc3ccccc34)[nH]2)cc1
InChIInChI=1S/C23H16N2/c1-2-8-17(9-3-1)22-15-24-23(25-22)21-12-6-11-19-18-10-5-4-7-16(18)13-14-20(19)21/h1-15H,(H,24,25)
InChIKeyAFUDSKNLZCOJKX-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-naphthalen-1-yl-1H-imidazol-5-yl)pyridine
CID 66821193
1-phenylphenanthrene;pyrazine
CID 175377735
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
2-(naphthalen-1-ylmethyl)-5-phenyl-1H-imidazole
CID 45137155
5-naphthalen-1-yl-2-thiophen-3-yl-1H-imidazole
CID 71062081
2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
CID 167087504
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-3-phenylphenyl]-1H-naphtho[2,1-e]benzimidazole
CID 87410342
2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
CID 588118
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-yl-5-phenyl-1H-imidazole?
The IUPAC name of 2-phenanthren-1-yl-5-phenyl-1H-imidazole (CID 174638740) is 2-phenanthren-1-yl-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-phenanthren-1-yl-5-phenyl-1H-imidazole?
The canonical SMILES for 2-phenanthren-1-yl-5-phenyl-1H-imidazole is c1ccc(-c2cnc(-c3cccc4c3ccc3ccccc34)[nH]2)cc1.
What is the InChIKey of 2-phenanthren-1-yl-5-phenyl-1H-imidazole?
The InChIKey is AFUDSKNLZCOJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-2-8-17(9-3-1)22-15-24-23(25-22)21-12-6-11-19-18-10-5-4-7-16(18)13-14-20(19)21/h1-15H,(H,24,25).
What are the key properties of 2-phenanthren-1-yl-5-phenyl-1H-imidazole?
2-phenanthren-1-yl-5-phenyl-1H-imidazole has a molecular weight of 320.40 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-5-phenyl-1H-imidazole is sourced from PubChem (CID 174638740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).