2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

C29H30N2O — CID 136744327

IUPAC2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H30N2O/c1-28(2,3)17-15-22(26(32)23(16-17)29(4,5)6)27-30-24-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25(24)31-27/h7-16,32H,1-6H3,(H,30,31)
InChIKeyRRTZTELFWMHWCG-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.84
Rot. Bonds1

About 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 136744327) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID136744327
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H30N2O/c1-28(2,3)17-15-22(26(32)23(16-17)29(4,5)6)27-30-24-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25(24)31-27/h7-16,32H,1-6H3,(H,30,31)
InChIKeyRRTZTELFWMHWCG-UHFFFAOYSA-N
XLogP7.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl}methyl)urea
CID 135528873
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
1-[(1H-Benzimidazol-2-ylamino)methyl]-2-naphthol
CID 787416
4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 2846971
2-(4'-tert-butylbiphenyl-3-yl)-9-hydroxy-3H-naphtho[1,2-d]imidazole-7-carboxylic acid
CID 10342985
(E)-1-(2-{2-[2-(4-tert-butyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-ethanol
CID 24758810
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24758811

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (CID 136744327) is 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is CC(C)(C)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is RRTZTELFWMHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-28(2,3)17-15-22(26(32)23(16-17)29(4,5)6)27-30-24-20-13-9-7-11-18(20)19-12-8-10-14-21(19)25(24)31-27/h7-16,32H,1-6H3,(H,30,31).
What are the key properties of 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 422.57 g/mol, XLogP of 7.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 136744327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).