2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole

C126H78N20S — CID 160750718

IUPAC2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2cnc3ccccc3n2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)c2)cc1.c1ccc2nc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4n4c5ccccc5nc34)cnc2c1
InChIInChI=1S/C33H19N5S.2C33H21N5.C27H17N5/c1-6-15-30-22(8-1)23-10-7-9-21(32(23)39-30)20-16-17-28-29(18-20)37-27-14-5-4-13-26(27)36-33(37)38(28)31-19-34-24-11-2-3-12-25(24)35-31;1-2-9-22(10-3-1)23-11-8-12-24(19-23)25-17-18-30-31(20-25)37-29-16-7-6-15-28(29)36-33(37)38(30)32-21-34-26-13-4-5-14-27(26)35-32;1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-19-30-31(20-25)37-29-13-7-6-12-28(29)36-33(37)38(30)32-21-34-26-10-4-5-11-27(26)35-32;1-2-8-18(9-3-1)19-14-15-24-25(16-19)31-23-13-7-6-12-22(23)30-27(31)32(24)26-17-28-20-10-4-5-11-21(20)29-26/h1-19H;2*1-21H;1-17H
InChIKeyRWTYCYKNORAJLY-UHFFFAOYSA-N
MW1904.22 g/mol
LogP29.87
Rot. Bonds10

About 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole

2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 160750718) has the molecular formula C126H78N20S and a molecular weight of 1904.22 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole
PubChem CID160750718
Molecular FormulaC126H78N20S
Molecular Weight1904.22 g/mol
Exact Mass1902.64
IUPAC Name2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2cnc3ccccc3n2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)c2)cc1.c1ccc2nc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4n4c5ccccc5nc34)cnc2c1
InChIInChI=1S/C33H19N5S.2C33H21N5.C27H17N5/c1-6-15-30-22(8-1)23-10-7-9-21(32(23)39-30)20-16-17-28-29(18-20)37-27-14-5-4-13-26(27)36-33(37)38(28)31-19-34-24-11-2-3-12-25(24)35-31;1-2-9-22(10-3-1)23-11-8-12-24(19-23)25-17-18-30-31(20-25)37-29-16-7-6-15-28(29)36-33(37)38(30)32-21-34-26-13-4-5-14-27(26)35-32;1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-19-30-31(20-25)37-29-13-7-6-12-28(29)36-33(37)38(30)32-21-34-26-10-4-5-11-27(26)35-32;1-2-8-18(9-3-1)19-14-15-24-25(16-19)31-23-13-7-6-12-22(23)30-27(31)32(24)26-17-28-20-10-4-5-11-21(20)29-26/h1-19H;2*1-21H;1-17H
InChIKeyRWTYCYKNORAJLY-UHFFFAOYSA-N
XLogP29.87
TPSA192.04 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.22
LogP ≤ 529.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 159706293
5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948123
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
CID 145180261
2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole (CID 160750718) is 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2cnc3ccccc3n2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cnc4ccccc4n3)c2)cc1.c1ccc2nc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4n4c5ccccc5nc34)cnc2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is RWTYCYKNORAJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5S.2C33H21N5.C27H17N5/c1-6-15-30-22(8-1)23-10-7-9-21(32(23)39-30)20-16-17-28-29(18-20)37-27-14-5-4-13-26(27)36-33(37)38(28)31-19-34-24-11-2-3-12-25(24)35-31;1-2-9-22(10-3-1)23-11-8-12-24(19-23)25-17-18-30-31(20-25)37-29-16-7-6-15-28(29)36-33(37)38(30)32-21-34-26-13-4-5-14-27(26)35-32;1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-19-30-31(20-25)37-29-13-7-6-12-28(29)36-33(37)38(30)32-21-34-26-10-4-5-11-27(26)35-32;1-2-8-18(9-3-1)19-14-15-24-25(16-19)31-23-13-7-6-12-22(23)30-27(31)32(24)26-17-28-20-10-4-5-11-21(20)29-26/h1-19H;2*1-21H;1-17H.
What are the key properties of 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole?
2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1904.22 g/mol, XLogP of 29.87, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 160750718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).