ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole

C28H22N6 — CID 144619418

IUPACethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
SMILESCC.c1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1
InChIInChI=1S/C26H16N6.C2H6/c1-5-12-21-17(8-1)25-18-9-2-6-13-22(18)32(26(25)31(21)23-14-7-15-28-30-23)24-16-27-19-10-3-4-11-20(19)29-24;1-2/h1-16H;1-2H3
InChIKeyODMXOJWNFCUXBQ-UHFFFAOYSA-N
MW442.53 g/mol
LogP6.49
Rot. Bonds2

About ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole

ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole (PubChem CID 144619418) has the molecular formula C28H22N6 and a molecular weight of 442.53 g/mol. Its IUPAC name is ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole.

Molecular Properties

Compound Nameethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
PubChem CID144619418
Molecular FormulaC28H22N6
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Nameethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
SMILESCC.c1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1
InChIInChI=1S/C26H16N6.C2H6/c1-5-12-21-17(8-1)25-18-9-2-6-13-22(18)32(26(25)31(21)23-14-7-15-28-30-23)24-16-27-19-10-3-4-11-20(19)29-24;1-2/h1-16H;1-2H3
InChIKeyODMXOJWNFCUXBQ-UHFFFAOYSA-N
XLogP6.49
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The IUPAC name of ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole (CID 144619418) is ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole.
What is the SMILES notation for ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The canonical SMILES for ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole is CC.c1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1.
What is the InChIKey of ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The InChIKey is ODMXOJWNFCUXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N6.C2H6/c1-5-12-21-17(8-1)25-18-9-2-6-13-22(18)32(26(25)31(21)23-14-7-15-28-30-23)24-16-27-19-10-3-4-11-20(19)29-24;1-2/h1-16H;1-2H3.
What are the key properties of ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole has a molecular weight of 442.53 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole is sourced from PubChem (CID 144619418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).