2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

C27H16Br2N2O — CID 142611847

IUPAC2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1-c1ccccc1
InChIInChI=1S/C27H16Br2N2O/c28-16-10-12-19-20-13-11-17(29)15-23(20)26-25(22(19)14-16)30-27(21-8-4-5-9-24(21)32)31(26)18-6-2-1-3-7-18/h1-15,32H
InChIKeyFMCXXBHJPRBMTD-UHFFFAOYSA-N
MW544.25 g/mol
LogP8.23
Rot. Bonds2

About 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 142611847) has the molecular formula C27H16Br2N2O and a molecular weight of 544.25 g/mol. Its IUPAC name is 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID142611847
Molecular FormulaC27H16Br2N2O
Molecular Weight544.25 g/mol
Exact Mass541.96
IUPAC Name2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1-c1ccccc1
InChIInChI=1S/C27H16Br2N2O/c28-16-10-12-19-20-13-11-17(29)15-23(20)26-25(22(19)14-16)30-27(21-8-4-5-9-24(21)32)31(26)18-6-2-1-3-7-18/h1-15,32H
InChIKeyFMCXXBHJPRBMTD-UHFFFAOYSA-N
XLogP8.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.25
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
1-[1-[(1-Hydroxynaphthalen-2-yl)methyl]benzimidazol-2-yl]naphthalen-2-ol
CID 136257959
2-(3-Methylbenzo[e]benzimidazol-2-yl)phenol
CID 136191449
2-(1-Phenyl-1h-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 136731979
3-(1-Phenyl-1h-phenanthro[9,10-d]imidazol-2-yl)naphthalene-2-ol
CID 136746124
4-(1-Phenyl-1h-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 137253985
5,10-Dibromo-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 57667635
4-[5,10-Dibromo-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazol-2-yl]phenol
CID 136193953
4-[5,10-Dibromo-6-methyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydrophenanthro[9,10-d]imidazol-2-yl]phenol
CID 136459631
[4-Fluoro-2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] trifluoromethanesulfonate
CID 148862664
3-(Bromomethyl)heptane;5,10-dibromo-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole;4-[5,10-dibromo-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazol-2-yl]phenol
CID 161566639
[2-Methyl-6-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] trifluoromethanesulfonate
CID 162605970

Frequently Asked Questions

What is the IUPAC name of 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (CID 142611847) is 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is Oc1ccccc1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1-c1ccccc1.
What is the InChIKey of 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is FMCXXBHJPRBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2N2O/c28-16-10-12-19-20-13-11-17(29)15-23(20)26-25(22(19)14-16)30-27(21-8-4-5-9-24(21)32)31(26)18-6-2-1-3-7-18/h1-15,32H.
What are the key properties of 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 544.25 g/mol, XLogP of 8.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 142611847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).