[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane

C112H69N19SSi2 — CID 174093611

IUPAC[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2nc(-n3c4ccccc4c4cc(-c5ccc6nc7n(-c8nc(-n9c%10ccccc%10n%10c%11ccccc%11nc9%10)nc([Si](c9ccccc9)(c9ccccc9)c9cccc(-n%10c%11ccccc%11n%11c%12ccccc%12nc%10%11)c9)n8)c8ccccc8n7c6c5)ccc43)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)cc1
InChIInChI=1S/C112H69N19SSi2/c1-5-33-73(34-6-1)133(74-35-7-2-8-36-74,77-41-31-32-72(68-77)123-92-51-22-23-52-93(92)125-89-48-19-15-44-83(89)113-109(123)125)108-121-105(130-98-57-28-25-54-95(98)127-91-50-21-17-46-85(91)115-111(127)130)118-106(122-108)131-99-58-29-26-55-96(99)128-100-67-71(60-63-86(100)116-112(128)131)70-61-64-88-81(66-70)79-42-13-18-47-87(79)124(88)103-117-104(129-97-56-27-24-53-94(97)126-90-49-20-16-45-84(90)114-110(126)129)120-107(119-103)134(75-37-9-3-10-38-75,76-39-11-4-12-40-76)78-62-65-102-82(69-78)80-43-14-30-59-101(80)132-102/h1-69H
InChIKeyHHAWWUKVUPBQNT-UHFFFAOYSA-N
MW1769.16 g/mol
LogP18.92
Rot. Bonds14

About [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane

[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane (PubChem CID 174093611) has the molecular formula C112H69N19SSi2 and a molecular weight of 1769.16 g/mol. Its IUPAC name is [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane.

Molecular Properties

Compound Name[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane
PubChem CID174093611
Molecular FormulaC112H69N19SSi2
Molecular Weight1769.16 g/mol
Exact Mass1767.52
IUPAC Name[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2nc(-n3c4ccccc4c4cc(-c5ccc6nc7n(-c8nc(-n9c%10ccccc%10n%10c%11ccccc%11nc9%10)nc([Si](c9ccccc9)(c9ccccc9)c9cccc(-n%10c%11ccccc%11n%11c%12ccccc%12nc%10%11)c9)n8)c8ccccc8n7c6c5)ccc43)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)cc1
InChIInChI=1S/C112H69N19SSi2/c1-5-33-73(34-6-1)133(74-35-7-2-8-36-74,77-41-31-32-72(68-77)123-92-51-22-23-52-93(92)125-89-48-19-15-44-83(89)113-109(123)125)108-121-105(130-98-57-28-25-54-95(98)127-91-50-21-17-46-85(91)115-111(127)130)118-106(122-108)131-99-58-29-26-55-96(99)128-100-67-71(60-63-86(100)116-112(128)131)70-61-64-88-81(66-70)79-42-13-18-47-87(79)124(88)103-117-104(129-97-56-27-24-53-94(97)126-90-49-20-16-45-84(90)114-110(126)129)120-107(119-103)134(75-37-9-3-10-38-75,76-39-11-4-12-40-76)78-62-65-102-82(69-78)80-43-14-30-59-101(80)132-102/h1-69H
InChIKeyHHAWWUKVUPBQNT-UHFFFAOYSA-N
XLogP18.92
TPSA171.19 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.16
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane with MolForge

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Related Compounds

[2-[2-[6-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]-6-carbazol-9-yl-4-pyridinyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093669
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093587
[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane
CID 174093191
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 168826577
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
9-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 168826513
2-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 121419643
5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315629
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 122546169

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane?
The IUPAC name of [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane (CID 174093611) is [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane.
What is the SMILES notation for [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane?
The canonical SMILES for [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3sc4ccccc4c3c2)c2nc(-n3c4ccccc4c4cc(-c5ccc6nc7n(-c8nc(-n9c%10ccccc%10n%10c%11ccccc%11nc9%10)nc([Si](c9ccccc9)(c9ccccc9)c9cccc(-n%10c%11ccccc%11n%11c%12ccccc%12nc%10%11)c9)n8)c8ccccc8n7c6c5)ccc43)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)cc1.
What is the InChIKey of [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane?
The InChIKey is HHAWWUKVUPBQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H69N19SSi2/c1-5-33-73(34-6-1)133(74-35-7-2-8-36-74,77-41-31-32-72(68-77)123-92-51-22-23-52-93(92)125-89-48-19-15-44-83(89)113-109(123)125)108-121-105(130-98-57-28-25-54-95(98)127-91-50-21-17-46-85(91)115-111(127)130)118-106(122-108)131-99-58-29-26-55-96(99)128-100-67-71(60-63-86(100)116-112(128)131)70-61-64-88-81(66-70)79-42-13-18-47-87(79)124(88)103-117-104(129-97-56-27-24-53-94(97)126-90-49-20-16-45-84(90)114-110(126)129)120-107(119-103)134(75-37-9-3-10-38-75,76-39-11-4-12-40-76)78-62-65-102-82(69-78)80-43-14-30-59-101(80)132-102/h1-69H.
What are the key properties of [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane?
[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane has a molecular weight of 1769.16 g/mol, XLogP of 18.92, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane is sourced from PubChem (CID 174093611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).