5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C62H36N6S2 — CID 140948123

IUPAC5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5n5c6ccccc6nc45)cccc23)cc1
InChIInChI=1S/C62H36N6S2/c1-3-15-37(16-4-1)41-19-11-21-43-45-23-13-29-53(59(45)69-57(41)43)67-51-33-31-39(35-55(51)65-49-27-9-7-25-47(49)63-61(65)67)40-32-34-52-56(36-40)66-50-28-10-8-26-48(50)64-62(66)68(52)54-30-14-24-46-44-22-12-20-42(58(44)70-60(46)54)38-17-5-2-6-18-38/h1-36H
InChIKeyTYCFKXBSJHRSQM-UHFFFAOYSA-N
MW929.15 g/mol
LogP16.91
Rot. Bonds5

About 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140948123) has the molecular formula C62H36N6S2 and a molecular weight of 929.15 g/mol. Its IUPAC name is 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140948123
Molecular FormulaC62H36N6S2
Molecular Weight929.15 g/mol
Exact Mass928.24
IUPAC Name5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5n5c6ccccc6nc45)cccc23)cc1
InChIInChI=1S/C62H36N6S2/c1-3-15-37(16-4-1)41-19-11-21-43-45-23-13-29-53(59(45)69-57(41)43)67-51-33-31-39(35-55(51)65-49-27-9-7-25-47(49)63-61(65)67)40-32-34-52-56(36-40)66-50-28-10-8-26-48(50)64-62(66)68(52)54-30-14-24-46-44-22-12-20-42(58(44)70-60(46)54)38-17-5-2-6-18-38/h1-36H
InChIKeyTYCFKXBSJHRSQM-UHFFFAOYSA-N
XLogP16.91
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.15
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,23-dithia-14,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,21-decaene
CID 170193811
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
2-dibenzofuran-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;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 161432773
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 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) is 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5n5c6ccccc6nc45)cccc23)cc1.
What is the InChIKey of 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is TYCFKXBSJHRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6S2/c1-3-15-37(16-4-1)41-19-11-21-43-45-23-13-29-53(59(45)69-57(41)43)67-51-33-31-39(35-55(51)65-49-27-9-7-25-47(49)63-61(65)67)40-32-34-52-56(36-40)66-50-28-10-8-26-48(50)64-62(66)68(52)54-30-14-24-46-44-22-12-20-42(58(44)70-60(46)54)38-17-5-2-6-18-38/h1-36H.
What are the key properties of 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 929.15 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyldibenzothiophen-4-yl)-2-[5-(6-phenyldibenzothiophen-4-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).