butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid

C25H24N2O5 — CID 121473005

IUPACbutane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
SMILESCCCC.COc1c2[nH]c3ccc(C(=O)O)cc3c2cc2c1[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C21H14N2O5.C4H10/c1-28-19-17-13(11-6-9(20(24)25)2-4-15(11)22-17)8-14-12-7-10(21(26)27)3-5-16(12)23-18(14)19;1-3-4-2/h2-8,22-23H,1H3,(H,24,25)(H,26,27);3-4H2,1-2H3
InChIKeyYTLKEEABPOCFAA-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.17
Rot. Bonds4

About butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid

butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid (PubChem CID 121473005) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid.

Molecular Properties

Compound Namebutane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
PubChem CID121473005
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Namebutane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
SMILESCCCC.COc1c2[nH]c3ccc(C(=O)O)cc3c2cc2c1[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C21H14N2O5.C4H10/c1-28-19-17-13(11-6-9(20(24)25)2-4-15(11)22-17)8-14-12-7-10(21(26)27)3-5-16(12)23-18(14)19;1-3-4-2/h2-8,22-23H,1H3,(H,24,25)(H,26,27);3-4H2,1-2H3
InChIKeyYTLKEEABPOCFAA-UHFFFAOYSA-N
XLogP6.17
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
CID 110181566
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
CID 175513931
6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid
CID 90375367
2-methoxy-11H-indolo[3,2-c]quinoline-6,8-dicarboxylic acid
CID 102287893
1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide
CID 68650941
3-(dimethoxymethyl)-2-methyl-1H-indole-5-carboxylic acid
CID 21231109
1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid
CID 150426776
2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421655
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
diethyl 6-[(3S)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 123633998
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321

Frequently Asked Questions

What is the IUPAC name of butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid?
The IUPAC name of butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid (CID 121473005) is butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid.
What is the SMILES notation for butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid?
The canonical SMILES for butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid is CCCC.COc1c2[nH]c3ccc(C(=O)O)cc3c2cc2c1[nH]c1ccc(C(=O)O)cc12.
What is the InChIKey of butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid?
The InChIKey is YTLKEEABPOCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O5.C4H10/c1-28-19-17-13(11-6-9(20(24)25)2-4-15(11)22-17)8-14-12-7-10(21(26)27)3-5-16(12)23-18(14)19;1-3-4-2/h2-8,22-23H,1H3,(H,24,25)(H,26,27);3-4H2,1-2H3.
What are the key properties of butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid?
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 6.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid is sourced from PubChem (CID 121473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).