4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid

C26H17NO4 — CID 102265509

IUPAC4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(C(=O)O)cc5)cc4c3c2)cc1
InChIInChI=1S/C26H17NO4/c28-25(29)17-5-1-15(2-6-17)19-9-11-23-21(13-19)22-14-20(10-12-24(22)27-23)16-3-7-18(8-4-16)26(30)31/h1-14,27H,(H,28,29)(H,30,31)
InChIKeyOCRAPMAUDXQSFE-UHFFFAOYSA-N
MW407.43 g/mol
LogP6.05
Rot. Bonds4

About 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid

4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid (PubChem CID 102265509) has the molecular formula C26H17NO4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid
PubChem CID102265509
Molecular FormulaC26H17NO4
Molecular Weight407.43 g/mol
Exact Mass407.12
IUPAC Name4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(C(=O)O)cc5)cc4c3c2)cc1
InChIInChI=1S/C26H17NO4/c28-25(29)17-5-1-15(2-6-17)19-9-11-23-21(13-19)22-14-20(10-12-24(22)27-23)16-3-7-18(8-4-16)26(30)31/h1-14,27H,(H,28,29)(H,30,31)
InChIKeyOCRAPMAUDXQSFE-UHFFFAOYSA-N
XLogP6.05
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid?
The IUPAC name of 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid (CID 102265509) is 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(C(=O)O)cc5)cc4c3c2)cc1.
What is the InChIKey of 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid?
The InChIKey is OCRAPMAUDXQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO4/c28-25(29)17-5-1-15(2-6-17)19-9-11-23-21(13-19)22-14-20(10-12-24(22)27-23)16-3-7-18(8-4-16)26(30)31/h1-14,27H,(H,28,29)(H,30,31).
What are the key properties of 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid?
4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid has a molecular weight of 407.43 g/mol, XLogP of 6.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-carboxyphenyl)-9H-carbazol-3-yl]benzoic acid is sourced from PubChem (CID 102265509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).