4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole

C268H178Si6 — CID 158013730

IUPAC4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5c6cccc(-c7ccc8ccccc8c7)c6cc6c(-c7ccc8ccccc8c7)cccc56)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6cc45)c32)cc1
InChIInChI=1S/2C96H62Si2.C76H54Si2/c1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)91-53-19-17-39-77(91)85-51-25-49-83(95(85)97)75-43-23-47-81-89(75)62-90-76(84-50-26-52-86-78-40-18-20-54-92(78)98(96(84)86,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(90)94(81)93-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)87(79)61-88-74(42-22-46-80(88)93)68-58-56-64-28-14-16-30-66(64)60-68;1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)89-51-19-17-39-83(89)93-77(49-25-53-91(93)97)75-43-23-47-81-87(75)62-88-76(78-50-26-54-92-94(78)84-40-18-20-52-90(84)98(92,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(88)96(81)95-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)85(79)61-86-74(42-22-46-80(86)95)68-58-56-64-28-14-16-30-66(64)60-68;1-77(2)71-37-11-9-23-57(71)65-35-17-33-63(75(65)77)55-27-15-31-61-69(55)46-70-56(64-34-18-36-66-58-24-10-12-38-72(58)78(3,4)76(64)66)28-16-32-62(70)74(61)73-59-29-13-25-53(51-41-39-47-19-5-7-21-49(47)43-51)67(59)45-68-54(26-14-30-60(68)73)52-42-40-48-20-6-8-22-50(48)44-52/h2*1-62H;5-46H,1-4H3
InChIKeyFFFCKCYVEDDXSN-UHFFFAOYSA-N
MW3566.89 g/mol
LogP57.86
Rot. Bonds23

About 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole

4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole (PubChem CID 158013730) has the molecular formula C268H178Si6 and a molecular weight of 3566.89 g/mol. Its IUPAC name is 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
PubChem CID158013730
Molecular FormulaC268H178Si6
Molecular Weight3566.89 g/mol
Exact Mass3563.25
IUPAC Name4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5c6cccc(-c7ccc8ccccc8c7)c6cc6c(-c7ccc8ccccc8c7)cccc56)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6cc45)c32)cc1
InChIInChI=1S/2C96H62Si2.C76H54Si2/c1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)91-53-19-17-39-77(91)85-51-25-49-83(95(85)97)75-43-23-47-81-89(75)62-90-76(84-50-26-52-86-78-40-18-20-54-92(78)98(96(84)86,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(90)94(81)93-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)87(79)61-88-74(42-22-46-80(88)93)68-58-56-64-28-14-16-30-66(64)60-68;1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)89-51-19-17-39-83(89)93-77(49-25-53-91(93)97)75-43-23-47-81-87(75)62-88-76(78-50-26-54-92-94(78)84-40-18-20-52-90(84)98(92,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(88)96(81)95-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)85(79)61-86-74(42-22-46-80(86)95)68-58-56-64-28-14-16-30-66(64)60-68;1-77(2)71-37-11-9-23-57(71)65-35-17-33-63(75(65)77)55-27-15-31-61-69(55)46-70-56(64-34-18-36-66-58-24-10-12-38-72(58)78(3,4)76(64)66)28-16-32-62(70)74(61)73-59-29-13-25-53(51-41-39-47-19-5-7-21-49(47)43-51)67(59)45-68-54(26-14-30-60(68)73)52-42-40-48-20-6-8-22-50(48)44-52/h2*1-62H;5-46H,1-4H3
InChIKeyFFFCKCYVEDDXSN-UHFFFAOYSA-N
XLogP57.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms274
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003566.89
LogP ≤ 557.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The IUPAC name of 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole (CID 158013730) is 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole.
What is the SMILES notation for 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The canonical SMILES for 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5c6cccc(-c7ccc8ccccc8c7)c6cc6c(-c7ccc8ccccc8c7)cccc56)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cccc(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6cc45)c32)cc1.
What is the InChIKey of 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The InChIKey is FFFCKCYVEDDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C96H62Si2.C76H54Si2/c1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)91-53-19-17-39-77(91)85-51-25-49-83(95(85)97)75-43-23-47-81-89(75)62-90-76(84-50-26-52-86-78-40-18-20-54-92(78)98(96(84)86,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(90)94(81)93-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)87(79)61-88-74(42-22-46-80(88)93)68-58-56-64-28-14-16-30-66(64)60-68;1-5-31-69(32-6-1)97(70-33-7-2-8-34-70)89-51-19-17-39-83(89)93-77(49-25-53-91(93)97)75-43-23-47-81-87(75)62-88-76(78-50-26-54-92-94(78)84-40-18-20-52-90(84)98(92,71-35-9-3-10-36-71)72-37-11-4-12-38-72)44-24-48-82(88)96(81)95-79-45-21-41-73(67-57-55-63-27-13-15-29-65(63)59-67)85(79)61-86-74(42-22-46-80(86)95)68-58-56-64-28-14-16-30-66(64)60-68;1-77(2)71-37-11-9-23-57(71)65-35-17-33-63(75(65)77)55-27-15-31-61-69(55)46-70-56(64-34-18-36-66-58-24-10-12-38-72(58)78(3,4)76(64)66)28-16-32-62(70)74(61)73-59-29-13-25-53(51-41-39-47-19-5-7-21-49(47)43-51)67(59)45-68-54(26-14-30-60(68)73)52-42-40-48-20-6-8-22-50(48)44-52/h2*1-62H;5-46H,1-4H3.
What are the key properties of 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole has a molecular weight of 3566.89 g/mol, XLogP of 57.86, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole is sourced from PubChem (CID 158013730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).