3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid

C30H19N7O6 — CID 175703205

IUPAC3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7cccc(C(=O)O)c7O)nn6)cc5c4c3)nn2)c1O
InChIInChI=1S/C30H19N7O6/c38-27-17(29(40)41)3-1-5-25(27)36-13-23(32-34-36)15-7-9-21-19(11-15)20-12-16(8-10-22(20)31-21)24-14-37(35-33-24)26-6-2-4-18(28(26)39)30(42)43/h1-14,31,38-39H,(H,40,41)(H,42,43)
InChIKeySCEUOXBLNRATLX-UHFFFAOYSA-N
MW573.53 g/mol
LogP4.62
Rot. Bonds6

About 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid

3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid (PubChem CID 175703205) has the molecular formula C30H19N7O6 and a molecular weight of 573.53 g/mol. Its IUPAC name is 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid
PubChem CID175703205
Molecular FormulaC30H19N7O6
Molecular Weight573.53 g/mol
Exact Mass573.14
IUPAC Name3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7cccc(C(=O)O)c7O)nn6)cc5c4c3)nn2)c1O
InChIInChI=1S/C30H19N7O6/c38-27-17(29(40)41)3-1-5-25(27)36-13-23(32-34-36)15-7-9-21-19(11-15)20-12-16(8-10-22(20)31-21)24-14-37(35-33-24)26-6-2-4-18(28(26)39)30(42)43/h1-14,31,38-39H,(H,40,41)(H,42,43)
InChIKeySCEUOXBLNRATLX-UHFFFAOYSA-N
XLogP4.62
TPSA192.27 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.53
LogP ≤ 54.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-5-cyano-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 175703177
3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 175703171
3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-4-(dibutylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 175703168
3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
CID 138740936
4-hydroxy-3-[4-(1H-indazol-5-yl)triazol-1-yl]benzoic acid
CID 167873761
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
4-[4-[3-[1-(4-carboxyphenyl)triazol-4-yl]phenyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 138741012
3-[1-(4-carboxyphenyl)triazol-4-yl]benzoic acid
CID 166434559
4-(1-naphthalen-1-yltriazol-4-yl)phenol
CID 52947273
phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid (CID 175703205) is 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid is O=C(O)c1cccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7cccc(C(=O)O)c7O)nn6)cc5c4c3)nn2)c1O.
What is the InChIKey of 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid?
The InChIKey is SCEUOXBLNRATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N7O6/c38-27-17(29(40)41)3-1-5-25(27)36-13-23(32-34-36)15-7-9-21-19(11-15)20-12-16(8-10-22(20)31-21)24-14-37(35-33-24)26-6-2-4-18(28(26)39)30(42)43/h1-14,31,38-39H,(H,40,41)(H,42,43).
What are the key properties of 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid?
3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid has a molecular weight of 573.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 175703205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).