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

C176H128Si6 — CID 158128720

IUPAC1-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6ccc7ccccc7c6)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C72H48Si2.2C52H40Si2/c1-5-25-52(26-6-1)73(53-27-7-2-8-28-53)66-41-17-15-33-62(66)71-58(39-21-43-68(71)73)56-35-19-37-60-64(56)48-65-57(36-20-38-61(65)70(60)51-46-45-49-23-13-14-24-50(49)47-51)59-40-22-44-69-72(59)63-34-16-18-42-67(63)74(69,54-29-9-3-10-30-54)55-31-11-4-12-32-55;1-53(2)48-27-9-7-17-38(48)44-25-13-23-42(51(44)53)36-19-11-21-40-46(36)32-47-37(43-24-14-26-45-39-18-8-10-28-49(39)54(3,4)52(43)45)20-12-22-41(47)50(40)35-30-29-33-15-5-6-16-34(33)31-35;1-53(2)46-25-9-7-17-42(46)51-38(23-13-27-48(51)53)36-19-11-21-40-44(36)32-45-37(39-24-14-28-49-52(39)43-18-8-10-26-47(43)54(49,3)4)20-12-22-41(45)50(40)35-30-29-33-15-5-6-16-34(33)31-35/h1-48H;2*5-32H,1-4H3
InChIKeyFSMSPGDNWDNLCM-UHFFFAOYSA-N
MW2411.48 g/mol
LogP36.37
Rot. Bonds13

About 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

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 (PubChem CID 158128720) has the molecular formula C176H128Si6 and a molecular weight of 2411.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158128720
Molecular FormulaC176H128Si6
Molecular Weight2411.48 g/mol
Exact Mass2408.86
IUPAC Name1-[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
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6ccc7ccccc7c6)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C72H48Si2.2C52H40Si2/c1-5-25-52(26-6-1)73(53-27-7-2-8-28-53)66-41-17-15-33-62(66)71-58(39-21-43-68(71)73)56-35-19-37-60-64(56)48-65-57(36-20-38-61(65)70(60)51-46-45-49-23-13-14-24-50(49)47-51)59-40-22-44-69-72(59)63-34-16-18-42-67(63)74(69,54-29-9-3-10-30-54)55-31-11-4-12-32-55;1-53(2)48-27-9-7-17-38(48)44-25-13-23-42(51(44)53)36-19-11-21-40-46(36)32-47-37(43-24-14-26-45-39-18-8-10-28-49(39)54(3,4)52(43)45)20-12-22-41(47)50(40)35-30-29-33-15-5-6-16-34(33)31-35;1-53(2)46-25-9-7-17-42(46)51-38(23-13-27-48(51)53)36-19-11-21-40-44(36)32-45-37(39-24-14-28-49-52(39)43-18-8-10-26-47(43)54(49,3)4)20-12-22-41(45)50(40)35-30-29-33-15-5-6-16-34(33)31-35/h1-48H;2*5-32H,1-4H3
InChIKeyFSMSPGDNWDNLCM-UHFFFAOYSA-N
XLogP36.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002411.48
LogP ≤ 536.37
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-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 with MolForge

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Related Compounds

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
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
3,3,24,24-tetramethyl-7-naphthalen-2-yl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 171742945
10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(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 58175443
dodecakis(2,2-dimethylpropane);5,5-diphenylbenzo[b][1]benzosilole;5,5-diphenylnaphtho[2,3-b][1]benzosilole;7,7-diphenylnaphtho[2,1-b][1]benzosilole;11,11-diphenylnaphtho[1,2-b][1]benzosilole;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 165065368
10,10-dimethyl-14-naphthalen-1-yl-17-naphthalen-2-yl-21-(3-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 173480975
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170927900
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 157083192
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
3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine
CID 164956486
bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
CID 157380469
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2-c2c(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6-c6ccccc6[Si]7(C)C)c5cc34)cccc21.C[Si]1(C)c2ccccc2-c2cccc(-c3cccc4c(-c5ccc6ccccc6c5)c5cccc(-c6cccc7c6[Si](C)(C)c6ccccc6-7)c5cc34)c21.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c(-c4cccc5c(-c6ccc7ccccc7c6)c6cccc(-c7cccc8c7-c7ccccc7[Si]8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is FSMSPGDNWDNLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48Si2.2C52H40Si2/c1-5-25-52(26-6-1)73(53-27-7-2-8-28-53)66-41-17-15-33-62(66)71-58(39-21-43-68(71)73)56-35-19-37-60-64(56)48-65-57(36-20-38-61(65)70(60)51-46-45-49-23-13-14-24-50(49)47-51)59-40-22-44-69-72(59)63-34-16-18-42-67(63)74(69,54-29-9-3-10-30-54)55-31-11-4-12-32-55;1-53(2)48-27-9-7-17-38(48)44-25-13-23-42(51(44)53)36-19-11-21-40-46(36)32-47-37(43-24-14-26-45-39-18-8-10-28-49(39)54(3,4)52(43)45)20-12-22-41(47)50(40)35-30-29-33-15-5-6-16-34(33)31-35;1-53(2)46-25-9-7-17-42(46)51-38(23-13-27-48(51)53)36-19-11-21-40-44(36)32-45-37(39-24-14-28-49-52(39)43-18-8-10-26-47(43)54(49,3)4)20-12-22-41(45)50(40)35-30-29-33-15-5-6-16-34(33)31-35/h1-48H;2*5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2411.48 g/mol, XLogP of 36.37, 13 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-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 is sourced from PubChem (CID 158128720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).