9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid

C34H28N2O8 — CID 53342508

About 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid

9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid (PubChem CID 53342508) has the molecular formula C34H28N2O8 and a molecular weight of 592.60 g/mol. Its IUPAC name is 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid.

Molecular Properties

• Compound Name: 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
• PubChem CID: 53342508
• Molecular Formula: C34H28N2O8
• Molecular Weight: 592.60 g/mol
• Exact Mass: 592.18
• IUPAC Name: 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
• SMILES: O=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2CCCCCCn1c2ccc(C(=O)O)cc2c2cc(C(=O)O)ccc21
• InChI: InChI=1S/C34H28N2O8/c37-31(38)19-5-9-27-23(15-19)24-16-20(32(39)40)6-10-28(24)35(27)13-3-1-2-4-14-36-29-11-7-21(33(41)42)17-25(29)26-18-22(34(43)44)8-12-30(26)36/h5-12,15-18H,1-4,13-14H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
• InChIKey: CKFULIZOQWVSMD-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 159.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.60
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid?

The IUPAC name of 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid (CID 53342508) is 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid.

What is the SMILES notation for 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid?

The canonical SMILES for 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid is O=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2CCCCCCn1c2ccc(C(=O)O)cc2c2cc(C(=O)O)ccc21.

What is the InChIKey of 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid?

The InChIKey is CKFULIZOQWVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O8/c37-31(38)19-5-9-27-23(15-19)24-16-20(32(39)40)6-10-28(24)35(27)13-3-1-2-4-14-36-29-11-7-21(33(41)42)17-25(29)26-18-22(34(43)44)8-12-30(26)36/h5-12,15-18H,1-4,13-14H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44).

What are the key properties of 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid?

9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid has a molecular weight of 592.60 g/mol, XLogP of 6.96, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid is sourced from PubChem (CID 53342508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).