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

C182H134Si6 — CID 159086450

IUPAC1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccccc5-c5ccccc5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3cc3c(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C74H50Si2.2C54H42Si2/c1-6-26-51(27-7-1)56-36-16-17-39-61(56)72-62-42-22-40-57(64-44-24-46-66-59-37-18-20-48-70(59)75(73(64)66,52-28-8-2-9-29-52)53-30-10-3-11-31-53)68(62)50-69-58(41-23-43-63(69)72)65-45-25-47-67-60-38-19-21-49-71(60)76(74(65)67,54-32-12-4-13-33-54)55-34-14-5-15-35-55;1-55(2)48-26-10-8-18-44(48)53-40(24-14-28-50(53)55)38-20-12-22-42-46(38)34-47-39(41-25-15-29-51-54(41)45-19-9-11-27-49(45)56(51,3)4)21-13-23-43(47)52(42)37-32-30-36(31-33-37)35-16-6-5-7-17-35;1-55(2)50-32-12-10-21-39(50)46-30-16-28-44(53(46)55)37-24-14-26-42-48(37)34-49-38(45-29-17-31-47-40-22-11-13-33-51(40)56(3,4)54(45)47)25-15-27-43(49)52(42)41-23-9-8-20-36(41)35-18-6-5-7-19-35/h1-50H;2*5-34H,1-4H3
InChIKeyKBMPZXVZCBJAAV-UHFFFAOYSA-N
MW2489.59 g/mol
LogP37.91
Rot. Bonds16

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

1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole (PubChem CID 159086450) has the molecular formula C182H134Si6 and a molecular weight of 2489.59 g/mol. Its IUPAC name is 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
PubChem CID159086450
Molecular FormulaC182H134Si6
Molecular Weight2489.59 g/mol
Exact Mass2486.91
IUPAC Name1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccccc5-c5ccccc5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3cc3c(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C74H50Si2.2C54H42Si2/c1-6-26-51(27-7-1)56-36-16-17-39-61(56)72-62-42-22-40-57(64-44-24-46-66-59-37-18-20-48-70(59)75(73(64)66,52-28-8-2-9-29-52)53-30-10-3-11-31-53)68(62)50-69-58(41-23-43-63(69)72)65-45-25-47-67-60-38-19-21-49-71(60)76(74(65)67,54-32-12-4-13-33-54)55-34-14-5-15-35-55;1-55(2)48-26-10-8-18-44(48)53-40(24-14-28-50(53)55)38-20-12-22-42-46(38)34-47-39(41-25-15-29-51-54(41)45-19-9-11-27-49(45)56(51,3)4)21-13-23-43(47)52(42)37-32-30-36(31-33-37)35-16-6-5-7-17-35;1-55(2)50-32-12-10-21-39(50)46-30-16-28-44(53(46)55)37-24-14-26-42-48(37)34-49-38(45-29-17-31-47-40-22-11-13-33-51(40)56(3,4)54(45)47)25-15-27-43(49)52(42)41-23-9-8-20-36(41)35-18-6-5-7-19-35/h1-50H;2*5-34H,1-4H3
InChIKeyKBMPZXVZCBJAAV-UHFFFAOYSA-N
XLogP37.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002489.59
LogP ≤ 537.91
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 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole with MolForge

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Related Compounds

1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-naphthalen-2-ylanthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
CID 158128720
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
4-[10-(9,9-dimethylfluoren-4-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
CID 158405050
2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 160885825
4-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 155787427
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine
CID 155787392
10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 161176690
2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 155787263
1-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787437
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
10,10-dimethyl-17-naphthalen-2-yl-14-phenyl-21-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 173480593

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The IUPAC name of 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole (CID 159086450) is 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole.
What is the SMILES notation for 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The canonical SMILES for 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccccc5-c5ccccc5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)c3cc3c(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccccc4-5)cccc23)cc1.
What is the InChIKey of 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
The InChIKey is KBMPZXVZCBJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50Si2.2C54H42Si2/c1-6-26-51(27-7-1)56-36-16-17-39-61(56)72-62-42-22-40-57(64-44-24-46-66-59-37-18-20-48-70(59)75(73(64)66,52-28-8-2-9-29-52)53-30-10-3-11-31-53)68(62)50-69-58(41-23-43-63(69)72)65-45-25-47-67-60-38-19-21-49-71(60)76(74(65)67,54-32-12-4-13-33-54)55-34-14-5-15-35-55;1-55(2)48-26-10-8-18-44(48)53-40(24-14-28-50(53)55)38-20-12-22-42-46(38)34-47-39(41-25-15-29-51-54(41)45-19-9-11-27-49(45)56(51,3)4)21-13-23-43(47)52(42)37-32-30-36(31-33-37)35-16-6-5-7-17-35;1-55(2)50-32-12-10-21-39(50)46-30-16-28-44(53(46)55)37-24-14-26-42-48(37)34-49-38(45-29-17-31-47-40-22-11-13-33-51(40)56(3,4)54(45)47)25-15-27-43(49)52(42)41-23-9-8-20-36(41)35-18-6-5-7-19-35/h1-50H;2*5-34H,1-4H3.
What are the key properties of 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole?
1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole has a molecular weight of 2489.59 g/mol, XLogP of 37.91, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;4-[8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole is sourced from PubChem (CID 159086450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).