3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole

C76H52N2S2Si2 — CID 90089710

IUPAC3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccccc9c8c7)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)ccc43)cc21
InChIInChI=1S/C76H52N2S2Si2/c1-81(2)73-19-11-7-15-55(73)57-29-27-51(43-75(57)81)77-65-31-21-45(37-59(65)61-39-47(23-33-67(61)77)49-25-35-71-63(41-49)53-13-5-9-17-69(53)79-71)46-22-32-66-60(38-46)62-40-48(50-26-36-72-64(42-50)54-14-6-10-18-70(54)80-72)24-34-68(62)78(66)52-28-30-58-56-16-8-12-20-74(56)82(3,4)76(58)44-52/h5-44H,1-4H3
InChIKeyNRBAFDSEMJCKKY-UHFFFAOYSA-N
MW1113.57 g/mol
LogP19.22
Rot. Bonds5

About 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole

3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole (PubChem CID 90089710) has the molecular formula C76H52N2S2Si2 and a molecular weight of 1113.57 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole
PubChem CID90089710
Molecular FormulaC76H52N2S2Si2
Molecular Weight1113.57 g/mol
Exact Mass1112.31
IUPAC Name3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccccc9c8c7)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)ccc43)cc21
InChIInChI=1S/C76H52N2S2Si2/c1-81(2)73-19-11-7-15-55(73)57-29-27-51(43-75(57)81)77-65-31-21-45(37-59(65)61-39-47(23-33-67(61)77)49-25-35-71-63(41-49)53-13-5-9-17-69(53)79-71)46-22-32-66-60(38-46)62-40-48(50-26-36-72-64(42-50)54-14-6-10-18-70(54)80-72)24-34-68(62)78(66)52-28-30-58-56-16-8-12-20-74(56)82(3,4)76(58)44-52/h5-44H,1-4H3
InChIKeyNRBAFDSEMJCKKY-UHFFFAOYSA-N
XLogP19.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.57
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole (CID 90089710) is 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole is C[Si]1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccccc9c8c7)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)ccc43)cc21.
What is the InChIKey of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole?
The InChIKey is NRBAFDSEMJCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2S2Si2/c1-81(2)73-19-11-7-15-55(73)57-29-27-51(43-75(57)81)77-65-31-21-45(37-59(65)61-39-47(23-33-67(61)77)49-25-35-71-63(41-49)53-13-5-9-17-69(53)79-71)46-22-32-66-60(38-46)62-40-48(50-26-36-72-64(42-50)54-14-6-10-18-70(54)80-72)24-34-68(62)78(66)52-28-30-58-56-16-8-12-20-74(56)82(3,4)76(58)44-52/h5-44H,1-4H3.
What are the key properties of 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole?
3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole has a molecular weight of 1113.57 g/mol, XLogP of 19.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-6-[6-dibenzothiophen-2-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole is sourced from PubChem (CID 90089710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).