2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol

C33H23N3O — CID 139593988

IUPAC2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol
SMILESOc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C33H23N3O/c37-30-21-24(36(22-11-3-1-4-12-22)23-13-5-2-6-14-23)19-20-29(30)33-34-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)32(31)35-33/h1-21,37H,(H,34,35)
InChIKeyVAJZUZZWWOATHE-UHFFFAOYSA-N
MW477.57 g/mol
LogP8.71
Rot. Bonds4

About 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol

2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol (PubChem CID 139593988) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol.

Molecular Properties

Compound Name2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol
PubChem CID139593988
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol
SMILESOc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C33H23N3O/c37-30-21-24(36(22-11-3-1-4-12-22)23-13-5-2-6-14-23)19-20-29(30)33-34-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)32(31)35-33/h1-21,37H,(H,34,35)
InChIKeyVAJZUZZWWOATHE-UHFFFAOYSA-N
XLogP8.71
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
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
2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
CID 1394668
4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 2846971
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24758811
Cra_23653
CID 135559095
1-({[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl)-2-naphthol
CID 1207297
2-(3-fluorophenyl)-4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol
CID 44529933

Frequently Asked Questions

What is the IUPAC name of 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol?
The IUPAC name of 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol (CID 139593988) is 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol.
What is the SMILES notation for 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol?
The canonical SMILES for 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol is Oc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol?
The InChIKey is VAJZUZZWWOATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O/c37-30-21-24(36(22-11-3-1-4-12-22)23-13-5-2-6-14-23)19-20-29(30)33-34-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)32(31)35-33/h1-21,37H,(H,34,35).
What are the key properties of 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol?
2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol has a molecular weight of 477.57 g/mol, XLogP of 8.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-5-(N-phenylanilino)phenol is sourced from PubChem (CID 139593988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).