2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

C144H108N12O18 — CID 159771129

About 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (PubChem CID 159771129) has the molecular formula C144H108N12O18 and a molecular weight of 2294.51 g/mol. Its IUPAC name is 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

Molecular Properties

• Compound Name: 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• PubChem CID: 159771129
• Molecular Formula: C144H108N12O18
• Molecular Weight: 2294.51 g/mol
• Exact Mass: 2292.79
• IUPAC Name: 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• SMILES: O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cccnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cnccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccncc3)cc3c2CCc2ccccc2-3)ccc1O
• InChI: InChI=1S/6C24H18N2O3/c27-23-11-9-16(13-19(23)24(28)29)26-21-10-8-15-5-1-2-6-17(15)18(21)14-22(26)20-7-3-4-12-25-20;27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-22-11-9-17(13-19(22)24(28)29)26-20-10-8-16-7-4-12-25-23(16)18(20)14-21(26)15-5-2-1-3-6-15;27-23-8-6-17(13-20(23)24(28)29)26-21-7-5-15-3-1-2-4-18(15)19(21)14-22(26)16-9-11-25-12-10-16;27-23-9-7-17(12-19(23)24(28)29)26-21-8-6-15-10-11-25-14-20(15)18(21)13-22(26)16-4-2-1-3-5-16;27-23-9-7-17(12-20(23)24(28)29)26-21-8-6-16-14-25-11-10-18(16)19(21)13-22(26)15-4-2-1-3-5-15/h1-7,9,11-14,27H,8,10H2,(H,28,29);1-6,8,10-14,27H,7,9H2,(H,28,29);1-7,9,11-14,27H,8,10H2,(H,28,29);1-4,6,8-14,27H,5,7H2,(H,28,29);2*1-5,7,9-14,27H,6,8H2,(H,28,29)
• InChIKey: NGCYEEBYPMRAJA-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 452.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.51
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The IUPAC name of 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (CID 159771129) is 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

What is the SMILES notation for 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The canonical SMILES for 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cccnc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccncc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cnccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccccn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccncc3)cc3c2CCc2ccccc2-3)ccc1O.

What is the InChIKey of 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The InChIKey is NGCYEEBYPMRAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C24H18N2O3/c27-23-11-9-16(13-19(23)24(28)29)26-21-10-8-15-5-1-2-6-17(15)18(21)14-22(26)20-7-3-4-12-25-20;27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-22-11-9-17(13-19(22)24(28)29)26-20-10-8-16-7-4-12-25-23(16)18(20)14-21(26)15-5-2-1-3-6-15;27-23-8-6-17(13-20(23)24(28)29)26-21-7-5-15-3-1-2-4-18(15)19(21)14-22(26)16-9-11-25-12-10-16;27-23-9-7-17(12-19(23)24(28)29)26-21-8-6-15-10-11-25-14-20(15)18(21)13-22(26)16-4-2-1-3-5-16;27-23-9-7-17(12-20(23)24(28)29)26-21-8-6-16-14-25-11-10-18(16)19(21)13-22(26)15-4-2-1-3-5-15/h1-7,9,11-14,27H,8,10H2,(H,28,29);1-6,8,10-14,27H,7,9H2,(H,28,29);1-7,9,11-14,27H,8,10H2,(H,28,29);1-4,6,8-14,27H,5,7H2,(H,28,29);2*1-5,7,9-14,27H,6,8H2,(H,28,29).

What are the key properties of 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid has a molecular weight of 2294.51 g/mol, XLogP of 28.25, 18 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-(2-phenyl-4,5-dihydropyrrolo[3,2-f]isoquinolin-3-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]isoquinolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is sourced from PubChem (CID 159771129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).