2,3-dimethoxy-9H-carbazole;terephthalic acid

C22H19NO6 — CID 175513936

IUPAC2,3-dimethoxy-9H-carbazole;terephthalic acid
SMILESCOc1cc2[nH]c3ccccc3c2cc1OC.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO2.C8H6O4/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-8,15H,1-2H3;1-4H,(H,9,10)(H,11,12)
InChIKeyBALMOQQRMVGZDZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.42
Rot. Bonds4

About 2,3-dimethoxy-9H-carbazole;terephthalic acid

2,3-dimethoxy-9H-carbazole;terephthalic acid (PubChem CID 175513936) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2,3-dimethoxy-9H-carbazole;terephthalic acid.

Molecular Properties

Compound Name2,3-dimethoxy-9H-carbazole;terephthalic acid
PubChem CID175513936
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name2,3-dimethoxy-9H-carbazole;terephthalic acid
SMILESCOc1cc2[nH]c3ccccc3c2cc1OC.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO2.C8H6O4/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-8,15H,1-2H3;1-4H,(H,9,10)(H,11,12)
InChIKeyBALMOQQRMVGZDZ-UHFFFAOYSA-N
XLogP4.42
TPSA108.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
CID 175513931
benzoic acid;9H-carbazole
CID 162147282
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
(2-methoxy-9H-carbazol-3-yl)methanol
CID 134816366
6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
CID 110181566
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
9H-carbazole;carbonic acid
CID 67577328
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
1-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 141287625
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9H-carbazole;terephthalic acid?
The IUPAC name of 2,3-dimethoxy-9H-carbazole;terephthalic acid (CID 175513936) is 2,3-dimethoxy-9H-carbazole;terephthalic acid.
What is the SMILES notation for 2,3-dimethoxy-9H-carbazole;terephthalic acid?
The canonical SMILES for 2,3-dimethoxy-9H-carbazole;terephthalic acid is COc1cc2[nH]c3ccccc3c2cc1OC.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 2,3-dimethoxy-9H-carbazole;terephthalic acid?
The InChIKey is BALMOQQRMVGZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.C8H6O4/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-8,15H,1-2H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 2,3-dimethoxy-9H-carbazole;terephthalic acid?
2,3-dimethoxy-9H-carbazole;terephthalic acid has a molecular weight of 393.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-9H-carbazole;terephthalic acid is sourced from PubChem (CID 175513936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).