5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione

C23H16N2S — CID 164703495

IUPAC5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione
SMILESS=c1[nH]c2cc(-c3ccc(-c4ccccc4)cc3)c3ccccc3c2[nH]1
InChIInChI=1S/C23H16N2S/c26-23-24-21-14-20(18-8-4-5-9-19(18)22(21)25-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H2,24,25,26)
InChIKeyKUCNPLSEWCNUNR-UHFFFAOYSA-N
MW352.46 g/mol
LogP6.71
Rot. Bonds2

About 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione

5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione (PubChem CID 164703495) has the molecular formula C23H16N2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione
PubChem CID164703495
Molecular FormulaC23H16N2S
Molecular Weight352.46 g/mol
Exact Mass352.10
IUPAC Name5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione
SMILESS=c1[nH]c2cc(-c3ccc(-c4ccccc4)cc3)c3ccccc3c2[nH]1
InChIInChI=1S/C23H16N2S/c26-23-24-21-14-20(18-8-4-5-9-19(18)22(21)25-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H2,24,25,26)
InChIKeyKUCNPLSEWCNUNR-UHFFFAOYSA-N
XLogP6.71
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(4-phenylphenyl)-1,3-dihydrobenzimidazole-2-thione
CID 86762103
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
1,3,6-triphenyl-9H-carbazole
CID 118052457
4-(4-phenylsulfanylphenyl)-1H-quinoline-2-thione
CID 101452970
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
silver 1,3-dihydrobenzimidazole-2-thione
CID 18620397
1,3-dihydrobenzimidazole-2-thione;zinc
CID 66599268
1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
CID 163727096

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione?
The IUPAC name of 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione (CID 164703495) is 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione.
What is the SMILES notation for 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione?
The canonical SMILES for 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione is S=c1[nH]c2cc(-c3ccc(-c4ccccc4)cc3)c3ccccc3c2[nH]1.
What is the InChIKey of 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione?
The InChIKey is KUCNPLSEWCNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2S/c26-23-24-21-14-20(18-8-4-5-9-19(18)22(21)25-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H2,24,25,26).
What are the key properties of 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione?
5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione has a molecular weight of 352.46 g/mol, XLogP of 6.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1,3-dihydrobenzo[e]benzimidazole-2-thione is sourced from PubChem (CID 164703495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).