3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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 90089654

IUPAC3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc21
InChIInChI=1S/C76H52N2S2Si2/c1-81(2)71-25-11-7-17-55(71)57-33-31-49(43-73(57)81)77-65-35-27-45(39-61(65)63-41-47(29-37-67(63)77)51-19-13-21-59-53-15-5-9-23-69(53)79-75(51)59)46-28-36-66-62(40-46)64-42-48(52-20-14-22-60-54-16-6-10-24-70(54)80-76(52)60)30-38-68(64)78(66)50-32-34-58-56-18-8-12-26-72(56)82(3,4)74(58)44-50/h5-44H,1-4H3
InChIKeyDWUVDPNETWKSFP-UHFFFAOYSA-N
MW1113.57 g/mol
LogP19.22
Rot. Bonds5

About 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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 90089654) has the molecular formula C76H52N2S2Si2 and a molecular weight of 1113.57 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole
PubChem CID90089654
Molecular FormulaC76H52N2S2Si2
Molecular Weight1113.57 g/mol
Exact Mass1112.31
IUPAC Name3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc21
InChIInChI=1S/C76H52N2S2Si2/c1-81(2)71-25-11-7-17-55(71)57-33-31-49(43-73(57)81)77-65-35-27-45(39-61(65)63-41-47(29-37-67(63)77)51-19-13-21-59-53-15-5-9-23-69(53)79-75(51)59)46-28-36-66-62(40-46)64-42-48(52-20-14-22-60-54-16-6-10-24-70(54)80-76(52)60)30-38-68(64)78(66)50-32-34-58-56-18-8-12-26-72(56)82(3,4)74(58)44-50/h5-44H,1-4H3
InChIKeyDWUVDPNETWKSFP-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-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-yl-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazol-3-yl]-9-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)carbazole (CID 90089654) is 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6c(c5)[Si](C)(C)c5ccccc5-6)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc21.
What is the InChIKey of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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 DWUVDPNETWKSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2S2Si2/c1-81(2)71-25-11-7-17-55(71)57-33-31-49(43-73(57)81)77-65-35-27-45(39-61(65)63-41-47(29-37-67(63)77)51-19-13-21-59-53-15-5-9-23-69(53)79-75(51)59)46-28-36-66-62(40-46)64-42-48(52-20-14-22-60-54-16-6-10-24-70(54)80-76(52)60)30-38-68(64)78(66)50-32-34-58-56-18-8-12-26-72(56)82(3,4)74(58)44-50/h5-44H,1-4H3.
What are the key properties of 3-dibenzothiophen-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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-4-yl-6-[6-dibenzothiophen-4-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 90089654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).