2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol

C28H20N2O — CID 136726171

IUPAC2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol
SMILESCc1ccc(-n2c(-c3ccccc3O)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H20N2O/c1-18-14-16-19(17-15-18)30-27-23-11-5-3-9-21(23)20-8-2-4-10-22(20)26(27)29-28(30)24-12-6-7-13-25(24)31/h2-17,31H,1H3
InChIKeyIRGNYUPDIHSDOG-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.01
Rot. Bonds2

About 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol

2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol (PubChem CID 136726171) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol
PubChem CID136726171
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol
SMILESCc1ccc(-n2c(-c3ccccc3O)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H20N2O/c1-18-14-16-19(17-15-18)30-27-23-11-5-3-9-21(23)20-8-2-4-10-22(20)26(27)29-28(30)24-12-6-7-13-25(24)31/h2-17,31H,1H3
InChIKeyIRGNYUPDIHSDOG-UHFFFAOYSA-N
XLogP7.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.01
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol?
The IUPAC name of 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol (CID 136726171) is 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol.
What is the SMILES notation for 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol?
The canonical SMILES for 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol is Cc1ccc(-n2c(-c3ccccc3O)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol?
The InChIKey is IRGNYUPDIHSDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-18-14-16-19(17-15-18)30-27-23-11-5-3-9-21(23)20-8-2-4-10-22(20)26(27)29-28(30)24-12-6-7-13-25(24)31/h2-17,31H,1H3.
What are the key properties of 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol?
2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol has a molecular weight of 400.48 g/mol, XLogP of 7.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenol is sourced from PubChem (CID 136726171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).