6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid

C30H24N2O4 — CID 67919484

IUPAC6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c2cc(-c3ccc4c(c3)c3cc(C(=O)O)ccc3n4CC)ccc21
InChIInChI=1S/C30H24N2O4/c1-3-31-25-9-5-17(13-21(25)23-15-19(29(33)34)7-11-27(23)31)18-6-10-26-22(14-18)24-16-20(30(35)36)8-12-28(24)32(26)4-2/h5-16H,3-4H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyLHOHEHYLBLVDCG-UHFFFAOYSA-N
MW476.53 g/mol
LogP7.01
Rot. Bonds5

About 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid

6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid (PubChem CID 67919484) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid
PubChem CID67919484
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c2cc(-c3ccc4c(c3)c3cc(C(=O)O)ccc3n4CC)ccc21
InChIInChI=1S/C30H24N2O4/c1-3-31-25-9-5-17(13-21(25)23-15-19(29(33)34)7-11-27(23)31)18-6-10-26-22(14-18)24-16-20(30(35)36)8-12-28(24)32(26)4-2/h5-16H,3-4H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyLHOHEHYLBLVDCG-UHFFFAOYSA-N
XLogP7.01
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid?
The IUPAC name of 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid (CID 67919484) is 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid.
What is the SMILES notation for 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid?
The canonical SMILES for 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid is CCn1c2ccc(C(=O)O)cc2c2cc(-c3ccc4c(c3)c3cc(C(=O)O)ccc3n4CC)ccc21.
What is the InChIKey of 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid?
The InChIKey is LHOHEHYLBLVDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-3-31-25-9-5-17(13-21(25)23-15-19(29(33)34)7-11-27(23)31)18-6-10-26-22(14-18)24-16-20(30(35)36)8-12-28(24)32(26)4-2/h5-16H,3-4H2,1-2H3,(H,33,34)(H,35,36).
What are the key properties of 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid?
6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid has a molecular weight of 476.53 g/mol, XLogP of 7.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-carboxy-9-ethylcarbazol-3-yl)-9-ethylcarbazole-3-carboxylic acid is sourced from PubChem (CID 67919484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).