2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole

C29H20N2 — CID 54520537

IUPAC2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C29H20N2/c1-3-11-20(12-4-1)27-28(21-13-5-2-6-14-21)31-29(30-27)26-19-22-15-7-8-16-23(22)24-17-9-10-18-25(24)26/h1-19H,(H,30,31)
InChIKeyYPMJQWQUGDLBGL-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.72
Rot. Bonds3

About 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole

2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole (PubChem CID 54520537) has the molecular formula C29H20N2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
PubChem CID54520537
Molecular FormulaC29H20N2
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC Name2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C29H20N2/c1-3-11-20(12-4-1)27-28(21-13-5-2-6-14-21)31-29(30-27)26-19-22-15-7-8-16-23(22)24-17-9-10-18-25(24)26/h1-19H,(H,30,31)
InChIKeyYPMJQWQUGDLBGL-UHFFFAOYSA-N
XLogP7.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
CID 71415012
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742
2-(2-bromonaphthalen-1-yl)-4,5-diphenyl-1H-imidazole
CID 54434951
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
CID 2538348
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole (CID 54520537) is 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole is c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole?
The InChIKey is YPMJQWQUGDLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2/c1-3-11-20(12-4-1)27-28(21-13-5-2-6-14-21)31-29(30-27)26-19-22-15-7-8-16-23(22)24-17-9-10-18-25(24)26/h1-19H,(H,30,31).
What are the key properties of 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole?
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole has a molecular weight of 396.49 g/mol, XLogP of 7.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 54520537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).