1,2-bis(1H-indol-3-yl)ethane-1,2-dione

C18H12N2O2 — CID 636743

IUPAC1,2-bis(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17(13-9-19-15-7-3-1-5-11(13)15)18(22)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H
InChIKeyVOUJHLROTVTYMT-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.71
Rot. Bonds3

About 1,2-bis(1H-indol-3-yl)ethane-1,2-dione

1,2-bis(1H-indol-3-yl)ethane-1,2-dione (PubChem CID 636743) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1,2-bis(1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(1H-indol-3-yl)ethane-1,2-dione
PubChem CID636743
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1,2-bis(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17(13-9-19-15-7-3-1-5-11(13)15)18(22)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H
InChIKeyVOUJHLROTVTYMT-UHFFFAOYSA-N
XLogP3.71
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
3,3'-Diindolylmethane
CID 3071
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
AM-694
CID 9889172
Bisindolylmaleimide VIII
CID 2403
Indole-5-carboxamide
CID 14973220
FG-7142
CID 4375
Pf-06840003
CID 23063810
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(1H-indol-3-yl)ethane-1,2-dione (CID 636743) is 1,2-bis(1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1,2-bis(1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is VOUJHLROTVTYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17(13-9-19-15-7-3-1-5-11(13)15)18(22)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H.
What are the key properties of 1,2-bis(1H-indol-3-yl)ethane-1,2-dione?
1,2-bis(1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 288.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 636743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).