3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one

C26H21N3O3 — CID 46934429

IUPAC3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccccc43)c12
InChIInChI=1S/C26H21N3O3/c1-31-21-11-5-9-19-23(21)16(13-27-19)26(15-7-3-4-8-18(15)29-25(26)30)17-14-28-20-10-6-12-22(32-2)24(17)20/h3-14,27-28H,1-2H3,(H,29,30)
InChIKeyRHBRLDUQPLGLKC-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.95
Rot. Bonds4

About 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one

3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 46934429) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one
PubChem CID46934429
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccccc43)c12
InChIInChI=1S/C26H21N3O3/c1-31-21-11-5-9-19-23(21)16(13-27-19)26(15-7-3-4-8-18(15)29-25(26)30)17-14-28-20-10-6-12-22(32-2)24(17)20/h3-14,27-28H,1-2H3,(H,29,30)
InChIKeyRHBRLDUQPLGLKC-UHFFFAOYSA-N
XLogP4.95
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one (CID 46934429) is 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one is COc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccccc43)c12.
What is the InChIKey of 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is RHBRLDUQPLGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-31-21-11-5-9-19-23(21)16(13-27-19)26(15-7-3-4-8-18(15)29-25(26)30)17-14-28-20-10-6-12-22(32-2)24(17)20/h3-14,27-28H,1-2H3,(H,29,30).
What are the key properties of 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one?
3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 423.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxy-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 46934429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).