2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid

C22H17NO6 — CID 175202361

IUPAC2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C22H17NO6/c1-28-12-6-8-18-16(10-12)17-11-13(29-2)7-9-19(17)23(18)20-14(21(24)25)4-3-5-15(20)22(26)27/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyWIUUSWHEZDOIDG-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.20
Rot. Bonds5

About 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid

2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid (PubChem CID 175202361) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
PubChem CID175202361
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C22H17NO6/c1-28-12-6-8-18-16(10-12)17-11-13(29-2)7-9-19(17)23(18)20-14(21(24)25)4-3-5-15(20)22(26)27/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyWIUUSWHEZDOIDG-UHFFFAOYSA-N
XLogP4.20
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid (CID 175202361) is 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The InChIKey is WIUUSWHEZDOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c1-28-12-6-8-18-16(10-12)17-11-13(29-2)7-9-19(17)23(18)20-14(21(24)25)4-3-5-15(20)22(26)27/h3-11H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid?
2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid has a molecular weight of 391.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 175202361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).