5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid

C30H19N3O4 — CID 11755114

IUPAC5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc4[nH]c5ccc(-c6ccc7[nH]c(C(=O)O)cc7c6)cc5c4c3)ccc2[nH]1
InChIInChI=1S/C30H19N3O4/c34-29(35)27-13-19-9-15(1-5-23(19)31-27)17-3-7-25-21(11-17)22-12-18(4-8-26(22)33-25)16-2-6-24-20(10-16)14-28(32-24)30(36)37/h1-14,31-33H,(H,34,35)(H,36,37)
InChIKeyJAGXTUZCZRUMLI-UHFFFAOYSA-N
MW485.50 g/mol
LogP7.01
Rot. Bonds4

About 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid

5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid (PubChem CID 11755114) has the molecular formula C30H19N3O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid
PubChem CID11755114
Molecular FormulaC30H19N3O4
Molecular Weight485.50 g/mol
Exact Mass485.14
IUPAC Name5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc4[nH]c5ccc(-c6ccc7[nH]c(C(=O)O)cc7c6)cc5c4c3)ccc2[nH]1
InChIInChI=1S/C30H19N3O4/c34-29(35)27-13-19-9-15(1-5-23(19)31-27)17-3-7-25-21(11-17)22-12-18(4-8-26(22)33-25)16-2-6-24-20(10-16)14-28(32-24)30(36)37/h1-14,31-33H,(H,34,35)(H,36,37)
InChIKeyJAGXTUZCZRUMLI-UHFFFAOYSA-N
XLogP7.01
TPSA121.97 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 57.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid (CID 11755114) is 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccc4[nH]c5ccc(-c6ccc7[nH]c(C(=O)O)cc7c6)cc5c4c3)ccc2[nH]1.
What is the InChIKey of 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid?
The InChIKey is JAGXTUZCZRUMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O4/c34-29(35)27-13-19-9-15(1-5-23(19)31-27)17-3-7-25-21(11-17)22-12-18(4-8-26(22)33-25)16-2-6-24-20(10-16)14-28(32-24)30(36)37/h1-14,31-33H,(H,34,35)(H,36,37).
What are the key properties of 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid?
5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid has a molecular weight of 485.50 g/mol, XLogP of 7.01, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-carboxy-1H-indol-5-yl)-9H-carbazol-3-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 11755114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).