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

C26H16N6 — CID 144596272

IUPAC6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
SMILESc1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1
InChIInChI=1S/C26H16N6/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/h1-16H
InChIKeyMRNVULPHOOEQKX-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.46
Rot. Bonds2

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

6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole (PubChem CID 144596272) has the molecular formula C26H16N6 and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole.

Molecular Properties

Compound Name6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
PubChem CID144596272
Molecular FormulaC26H16N6
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC Name6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
SMILESc1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1
InChIInChI=1S/C26H16N6/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/h1-16H
InChIKeyMRNVULPHOOEQKX-UHFFFAOYSA-N
XLogP5.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
CID 144619418
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
CID 129085638
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole
CID 148932709
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole
CID 135252086
11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;2-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,4-oxadiazole;11-phenyl-12-pyrazin-2-ylindolo[2,3-a]carbazole;11-phenyl-12-pyridazin-3-ylindolo[2,3-a]carbazole;11-phenyl-12-pyridazin-4-ylindolo[2,3-a]carbazole;11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazole;11-phenyl-12-(5-pyridin-2-yl-2-pyridinyl)indolo[2,3-a]carbazole;11-phenyl-12-pyrimidin-4-ylindolo[2,3-a]carbazole;11-phenyl-12-quinoxalin-2-ylindolo[2,3-a]carbazole
CID 162054363
5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288845
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361

Frequently Asked Questions

What is the IUPAC name of 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The IUPAC name of 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole (CID 144596272) is 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole.
What is the SMILES notation for 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The canonical SMILES for 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole is c1cnnc(-n2c3ccccc3c3c4ccccc4n(-c4cnc5ccccc5n4)c32)c1.
What is the InChIKey of 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
The InChIKey is MRNVULPHOOEQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N6/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/h1-16H.
What are the key properties of 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole?
6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole has a molecular weight of 412.46 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole is sourced from PubChem (CID 144596272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).