dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

C24H19N3O4 — CID 11037060

IUPACdimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3
InChIKeyDKTWEIRHZXHFQB-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.88
Rot. Bonds4

About dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate (PubChem CID 11037060) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
PubChem CID11037060
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Namedimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3
InChIKeyDKTWEIRHZXHFQB-UHFFFAOYSA-N
XLogP4.88
TPSA99.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate (CID 11037060) is dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate is COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12.
What is the InChIKey of dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate?
The InChIKey is DKTWEIRHZXHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3.
What are the key properties of dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate?
dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate has a molecular weight of 413.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate is sourced from PubChem (CID 11037060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).