9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid

C23H16N2O4S — CID 10204419

IUPAC9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2c(ccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc32)c1
InChIInChI=1S/C23H16N2O4S/c26-20-13-18(30(27,28)29)12-17-10-11-19-22(21(17)20)25-23(24-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H,(H,24,25)(H,27,28,29)
InChIKeyHGLDOMDAENLJGL-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.00
Rot. Bonds3

About 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid

9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid (PubChem CID 10204419) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid.

Molecular Properties

Compound Name9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid
PubChem CID10204419
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2c(ccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc32)c1
InChIInChI=1S/C23H16N2O4S/c26-20-13-18(30(27,28)29)12-17-10-11-19-22(21(17)20)25-23(24-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H,(H,24,25)(H,27,28,29)
InChIKeyHGLDOMDAENLJGL-UHFFFAOYSA-N
XLogP5.00
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-2-[2-methoxy-4-(4-methylphenyl)phenyl]-3H-benzo[e]benzimidazole-7-sulfonic acid;hydrochloride
CID 10278461
2-[4-(4-chlorophenyl)-2-methoxyphenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid
CID 10186179
2-(4-dibenzofuran-4-yl-2-methoxyphenyl)-9-hydroxy-3H-benzo[e]benzimidazole-7-sulfonic acid
CID 10303511
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
2-[5-(4-tert-butylphenyl)-2-fluorophenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 10139038
2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid;2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid
CID 90754109
2-[4-(4-tert-butylphenyl)furan-2-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 10224314
Chromotropic acid sodium salt
CID 88518702
2-[[2-[3-(4-tert-butylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carbonyl]amino]butanedioic acid
CID 22566600
9-hydroxy-2-(1-hydroxynaphthalen-2-yl)-3H-benzo[e]benzimidazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 135547900
9-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 22566654
disodium;6-sulfo-2-[4-(4-sulfo-6-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate
CID 146157689

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid?
The IUPAC name of 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid (CID 10204419) is 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid.
What is the SMILES notation for 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid?
The canonical SMILES for 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid is O=S(=O)(O)c1cc(O)c2c(ccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc32)c1.
What is the InChIKey of 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid?
The InChIKey is HGLDOMDAENLJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c26-20-13-18(30(27,28)29)12-17-10-11-19-22(21(17)20)25-23(24-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H,(H,24,25)(H,27,28,29).
What are the key properties of 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid?
9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid has a molecular weight of 416.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(4-phenylphenyl)-3H-benzo[e]benzimidazole-7-sulfonic acid is sourced from PubChem (CID 10204419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).