2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid

C23H21NO6 — CID 175513931

IUPAC2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
SMILESCOc1cc2c([nH]c3ccccc32)c(C)c1OC.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO2.C8H6O4/c1-9-14-11(8-13(17-2)15(9)18-3)10-6-4-5-7-12(10)16-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-8,16H,1-3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyYNLDCBUZXVQJTH-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.73
Rot. Bonds4

About 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid

2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid (PubChem CID 175513931) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid.

Molecular Properties

Compound Name2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
PubChem CID175513931
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
SMILESCOc1cc2c([nH]c3ccccc32)c(C)c1OC.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO2.C8H6O4/c1-9-14-11(8-13(17-2)15(9)18-3)10-6-4-5-7-12(10)16-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-8,16H,1-3H3;1-4H,(H,9,10)(H,11,12)
InChIKeyYNLDCBUZXVQJTH-UHFFFAOYSA-N
XLogP4.73
TPSA108.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
CID 110181566
benzoic acid;9H-carbazole
CID 162147282
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
1-heptyl-3-methoxy-2-methyl-9H-carbazole
CID 3071880
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 121473005
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid?
The IUPAC name of 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid (CID 175513931) is 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid.
What is the SMILES notation for 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid?
The canonical SMILES for 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid is COc1cc2c([nH]c3ccccc32)c(C)c1OC.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid?
The InChIKey is YNLDCBUZXVQJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.C8H6O4/c1-9-14-11(8-13(17-2)15(9)18-3)10-6-4-5-7-12(10)16-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h4-8,16H,1-3H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid?
2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid has a molecular weight of 407.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid is sourced from PubChem (CID 175513931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).