4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline

C34H32N6 — CID 77336502

IUPAC4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2nc3ccc(-c4ccc5nc(C=Cc6ccc(N(C)C)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C34H32N6/c1-39(2)27-13-5-23(6-14-27)9-19-33-35-29-17-11-25(21-31(29)37-33)26-12-18-30-32(22-26)38-34(36-30)20-10-24-7-15-28(16-8-24)40(3)4/h5-22H,1-4H3,(H,35,37)(H,36,38)
InChIKeyOCZKHLZCOPZLSH-UHFFFAOYSA-N
MW524.67 g/mol
LogP7.58
Rot. Bonds7

About 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline

4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 77336502) has the molecular formula C34H32N6 and a molecular weight of 524.67 g/mol. Its IUPAC name is 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
PubChem CID77336502
Molecular FormulaC34H32N6
Molecular Weight524.67 g/mol
Exact Mass524.27
IUPAC Name4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2nc3ccc(-c4ccc5nc(C=Cc6ccc(N(C)C)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C34H32N6/c1-39(2)27-13-5-23(6-14-27)9-19-33-35-29-17-11-25(21-31(29)37-33)26-12-18-30-32(22-26)38-34(36-30)20-10-24-7-15-28(16-8-24)40(3)4/h5-22H,1-4H3,(H,35,37)(H,36,38)
InChIKeyOCZKHLZCOPZLSH-UHFFFAOYSA-N
XLogP7.58
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline (CID 77336502) is 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2nc3ccc(-c4ccc5nc(C=Cc6ccc(N(C)C)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is OCZKHLZCOPZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6/c1-39(2)27-13-5-23(6-14-27)9-19-33-35-29-17-11-25(21-31(29)37-33)26-12-18-30-32(22-26)38-34(36-30)20-10-24-7-15-28(16-8-24)40(3)4/h5-22H,1-4H3,(H,35,37)(H,36,38).
What are the key properties of 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline?
4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 524.67 g/mol, XLogP of 7.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 77336502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).