methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate

C28H20N2O6 — CID 57409127

IUPACmethyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(O)c1-c1c(O)c(C=O)cc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C28H20N2O6/c1-35-14-7-8-16-17-9-13(12-31)26(32)23(24(17)30-21(16)10-14)22-19(28(34)36-2)11-18-15-5-3-4-6-20(15)29-25(18)27(22)33/h3-12,29-30,32-33H,1-2H3
InChIKeyHMGYKXSHMZADER-UHFFFAOYSA-N
MW480.48 g/mol
LogP5.64
Rot. Bonds4

About methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate

methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate (PubChem CID 57409127) has the molecular formula C28H20N2O6 and a molecular weight of 480.48 g/mol. Its IUPAC name is methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate
PubChem CID57409127
Molecular FormulaC28H20N2O6
Molecular Weight480.48 g/mol
Exact Mass480.13
IUPAC Namemethyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(O)c1-c1c(O)c(C=O)cc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C28H20N2O6/c1-35-14-7-8-16-17-9-13(12-31)26(32)23(24(17)30-21(16)10-14)22-19(28(34)36-2)11-18-15-5-3-4-6-20(15)29-25(18)27(22)33/h3-12,29-30,32-33H,1-2H3
InChIKeyHMGYKXSHMZADER-UHFFFAOYSA-N
XLogP5.64
TPSA124.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate?
The IUPAC name of methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate (CID 57409127) is methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate?
The canonical SMILES for methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccccc32)c(O)c1-c1c(O)c(C=O)cc2c1[nH]c1cc(OC)ccc12.
What is the InChIKey of methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate?
The InChIKey is HMGYKXSHMZADER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O6/c1-35-14-7-8-16-17-9-13(12-31)26(32)23(24(17)30-21(16)10-14)22-19(28(34)36-2)11-18-15-5-3-4-6-20(15)29-25(18)27(22)33/h3-12,29-30,32-33H,1-2H3.
What are the key properties of methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate?
methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate has a molecular weight of 480.48 g/mol, XLogP of 5.64, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-formyl-2-hydroxy-7-methoxy-9H-carbazol-1-yl)-1-hydroxy-9H-carbazole-3-carboxylate is sourced from PubChem (CID 57409127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).