(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate

C23H16N2O2 — CID 14029044

IUPAC(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate
SMILESCC(=O)On1c(-c2ccccc2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C23H16N2O2/c1-15(26)27-25-22-20-14-8-6-12-18(20)17-11-5-7-13-19(17)21(22)24-23(25)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyVUZLOZSAJUOIGY-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.98
Rot. Bonds2

About (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate

(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate (PubChem CID 14029044) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate.

Molecular Properties

Compound Name(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate
PubChem CID14029044
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate
SMILESCC(=O)On1c(-c2ccccc2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C23H16N2O2/c1-15(26)27-25-22-20-14-8-6-12-18(20)17-11-5-7-13-19(17)21(22)24-23(25)16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyVUZLOZSAJUOIGY-UHFFFAOYSA-N
XLogP4.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenylphenanthro[9,10-d]imidazol-3-yl)benzene-1,3-dicarboxylic acid
CID 163775550
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
[4-(1-acetyloxy-4,5-dimethylimidazol-2-yl)phenyl] acetate
CID 134109867
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
2-[4-(3-methylphenanthro[9,10-d]imidazol-2-yl)phenoxy]ethyl prop-2-enoate
CID 59510310
5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde
CID 10960411
[2-[(1S,4R)-1,3,4,5,6-pentakis-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]phenanthro[9,10-d]imidazol-3-yl]-phenylmethanone
CID 10259709
(2-oxoquinolin-1-yl) acetate
CID 21299138
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
CID 118737680
acetic acid;chrysene
CID 175201446

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate?
The IUPAC name of (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate (CID 14029044) is (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate.
What is the SMILES notation for (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate?
The canonical SMILES for (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate is CC(=O)On1c(-c2ccccc2)nc2c3ccccc3c3ccccc3c21.
What is the InChIKey of (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate?
The InChIKey is VUZLOZSAJUOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-15(26)27-25-22-20-14-8-6-12-18(20)17-11-5-7-13-19(17)21(22)24-23(25)16-9-3-2-4-10-16/h2-14H,1H3.
What are the key properties of (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate?
(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate has a molecular weight of 352.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate is sourced from PubChem (CID 14029044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).