3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid

C24H16N2O2 — CID 59214501

IUPAC3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3cccnc3)cc3c4ccccc4ccc32)c1
InChIInChI=1S/C24H16N2O2/c27-24(28)17-6-3-8-19(13-17)26-22-11-10-16-5-1-2-9-20(16)21(22)14-23(26)18-7-4-12-25-15-18/h1-15H,(H,27,28)
InChIKeyPYSOKSZDBOFISS-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.54
Rot. Bonds3

About 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid

3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid (PubChem CID 59214501) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
PubChem CID59214501
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3cccnc3)cc3c4ccccc4ccc32)c1
InChIInChI=1S/C24H16N2O2/c27-24(28)17-6-3-8-19(13-17)26-22-11-10-16-5-1-2-9-20(16)21(22)14-23(26)18-7-4-12-25-15-18/h1-15H,(H,27,28)
InChIKeyPYSOKSZDBOFISS-UHFFFAOYSA-N
XLogP5.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-cyclobutyl-2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 143553015
3-[2-[4-(trifluoromethoxy)phenyl]benzo[e]indol-3-yl]benzoic acid
CID 59214608
2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
CID 59214672
3-[2-(4-methoxy-2-methylphenyl)benzo[e]indol-3-yl]benzoic acid
CID 59214606
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 58517052
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
2-phenyl-3-(3-propylphenyl)benzo[e]indole
CID 70660628
9-(2-pyridin-3-yl-4-pyridinyl)carbazole
CID 171768043
3-pyridin-3-ylbenzoic acid
CID 2795575
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
CID 142560210

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid?
The IUPAC name of 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid (CID 59214501) is 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid.
What is the SMILES notation for 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid?
The canonical SMILES for 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid is O=C(O)c1cccc(-n2c(-c3cccnc3)cc3c4ccccc4ccc32)c1.
What is the InChIKey of 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid?
The InChIKey is PYSOKSZDBOFISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c27-24(28)17-6-3-8-19(13-17)26-22-11-10-16-5-1-2-9-20(16)21(22)14-23(26)18-7-4-12-25-15-18/h1-15H,(H,27,28).
What are the key properties of 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid?
3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid is sourced from PubChem (CID 59214501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).