tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate

C27H24N2O6 — CID 18449813

IUPACtert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate
SMILESCOc1ccccc1Oc1cc2c(c3c1C(=O)N(C)C3=O)c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C27H24N2O6/c1-27(2,3)35-26(32)29-16-11-7-6-10-15(16)21-17(29)14-20(22-23(21)25(31)28(4)24(22)30)34-19-13-9-8-12-18(19)33-5/h6-14H,1-5H3
InChIKeyROGTXPUFHMZDNG-UHFFFAOYSA-N
MW472.50 g/mol
LogP5.60
Rot. Bonds3

About tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate

tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate (PubChem CID 18449813) has the molecular formula C27H24N2O6 and a molecular weight of 472.50 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate
PubChem CID18449813
Molecular FormulaC27H24N2O6
Molecular Weight472.50 g/mol
Exact Mass472.16
IUPAC Nametert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate
SMILESCOc1ccccc1Oc1cc2c(c3c1C(=O)N(C)C3=O)c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C27H24N2O6/c1-27(2,3)35-26(32)29-16-11-7-6-10-15(16)21-17(29)14-20(22-23(21)25(31)28(4)24(22)30)34-19-13-9-8-12-18(19)33-5/h6-14H,1-5H3
InChIKeyROGTXPUFHMZDNG-UHFFFAOYSA-N
XLogP5.60
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate (CID 18449813) is tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate is COc1ccccc1Oc1cc2c(c3c1C(=O)N(C)C3=O)c1ccccc1n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate?
The InChIKey is ROGTXPUFHMZDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O6/c1-27(2,3)35-26(32)29-16-11-7-6-10-15(16)21-17(29)14-20(22-23(21)25(31)28(4)24(22)30)34-19-13-9-8-12-18(19)33-5/h6-14H,1-5H3.
What are the key properties of tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate?
tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate has a molecular weight of 472.50 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxyphenoxy)-2-methyl-1,3-dioxopyrrolo[3,4-c]carbazole-6-carboxylate is sourced from PubChem (CID 18449813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).