2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline

C42H28N4 — CID 129085638

IUPAC2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4cnc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C42H28N4/c1-4-16-29(17-5-1)41-39(32-22-10-14-26-36(32)45(41)31-20-8-3-9-21-31)40-33-23-11-15-27-37(33)46(42(40)30-18-6-2-7-19-30)38-28-43-34-24-12-13-25-35(34)44-38/h1-28H
InChIKeySGVGJPSOJKFNSG-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.52
Rot. Bonds5

About 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline

2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline (PubChem CID 129085638) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
PubChem CID129085638
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4cnc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C42H28N4/c1-4-16-29(17-5-1)41-39(32-22-10-14-26-36(32)45(41)31-20-8-3-9-21-31)40-33-23-11-15-27-37(33)46(42(40)30-18-6-2-7-19-30)38-28-43-34-24-12-13-25-35(34)44-38/h1-28H
InChIKeySGVGJPSOJKFNSG-UHFFFAOYSA-N
XLogP10.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
CID 137395005
2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole
CID 129085645
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
CID 20634023
methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 159554746
2,3-diphenyl-1-pyrazin-2-ylindole
CID 53254157
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
CID 144596272
9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 122441349

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline?
The IUPAC name of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline (CID 129085638) is 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline?
The canonical SMILES for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline is c1ccc(-c2c(-c3c(-c4ccccc4)n(-c4cnc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline?
The InChIKey is SGVGJPSOJKFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-4-16-29(17-5-1)41-39(32-22-10-14-26-36(32)45(41)31-20-8-3-9-21-31)40-33-23-11-15-27-37(33)46(42(40)30-18-6-2-7-19-30)38-28-43-34-24-12-13-25-35(34)44-38/h1-28H.
What are the key properties of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline?
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline has a molecular weight of 588.71 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline is sourced from PubChem (CID 129085638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).