[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

C110H70N14SSi2 — CID 174093587

IUPAC[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
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)nc(-n8c9ccccc9n9c%10ccccc%10nc89)n7)cc6nc45)n3)c2)cc1
InChIInChI=1S/C110H70N14SSi2/c1-6-32-75(33-7-1)126(76-34-8-2-9-35-76,77-36-10-3-11-37-77)81-42-30-31-74(67-81)104-115-106(119-91-48-21-16-43-83(91)84-44-17-22-49-92(84)119)118-108(116-104)124-100-55-28-26-53-98(100)122-96-65-60-73(69-90(96)112-110(122)124)72-59-64-94-87(68-72)85-45-18-23-50-93(85)120(94)105-113-103(114-107(117-105)123-99-54-27-25-52-97(99)121-95-51-24-20-47-89(95)111-109(121)123)71-57-61-80(62-58-71)127(78-38-12-4-13-39-78,79-40-14-5-15-41-79)82-63-66-102-88(70-82)86-46-19-29-56-101(86)125-102/h1-70H
InChIKeyNXYYSSOSALZJCS-UHFFFAOYSA-N
MW1676.11 g/mol
LogP19.86
Rot. Bonds15

About [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

[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 (PubChem CID 174093587) has the molecular formula C110H70N14SSi2 and a molecular weight of 1676.11 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID174093587
Molecular FormulaC110H70N14SSi2
Molecular Weight1676.11 g/mol
Exact Mass1674.52
IUPAC Name[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
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)nc(-n8c9ccccc9n9c%10ccccc%10nc89)n7)cc6nc45)n3)c2)cc1
InChIInChI=1S/C110H70N14SSi2/c1-6-32-75(33-7-1)126(76-34-8-2-9-35-76,77-36-10-3-11-37-77)81-42-30-31-74(67-81)104-115-106(119-91-48-21-16-43-83(91)84-44-17-22-49-92(84)119)118-108(116-104)124-100-55-28-26-53-98(100)122-96-65-60-73(69-90(96)112-110(122)124)72-59-64-94-87(68-72)85-45-18-23-50-93(85)120(94)105-113-103(114-107(117-105)123-99-54-27-25-52-97(99)121-95-51-24-20-47-89(95)111-109(121)123)71-57-61-80(62-58-71)127(78-38-12-4-13-39-78,79-40-14-5-15-41-79)82-63-66-102-88(70-82)86-46-19-29-56-101(86)125-102/h1-70H
InChIKeyNXYYSSOSALZJCS-UHFFFAOYSA-N
XLogP19.86
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.11
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[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
[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
[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
9-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 168826513
[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
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 168836420
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031844
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-triphenylsilane;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-triphenylsilane;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158841739

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccc%10sc%11ccccc%11c%10c9)cc8)nc(-n8c9ccccc9n9c%10ccccc%10nc89)n7)cc6nc45)n3)c2)cc1.
What is the InChIKey of [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?
The InChIKey is NXYYSSOSALZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H70N14SSi2/c1-6-32-75(33-7-1)126(76-34-8-2-9-35-76,77-36-10-3-11-37-77)81-42-30-31-74(67-81)104-115-106(119-91-48-21-16-43-83(91)84-44-17-22-49-92(84)119)118-108(116-104)124-100-55-28-26-53-98(100)122-96-65-60-73(69-90(96)112-110(122)124)72-59-64-94-87(68-72)85-45-18-23-50-93(85)120(94)105-113-103(114-107(117-105)123-99-54-27-25-52-97(99)121-95-51-24-20-47-89(95)111-109(121)123)71-57-61-80(62-58-71)127(78-38-12-4-13-39-78,79-40-14-5-15-41-79)82-63-66-102-88(70-82)86-46-19-29-56-101(86)125-102/h1-70H.
What are the key properties of [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?
[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 has a molecular weight of 1676.11 g/mol, XLogP of 19.86, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 174093587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).