2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline

C192H222N6S6Si3 — CID 160692052

IUPAC2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline
SMILESCCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CC)cc6)c(-c6ccc(CC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCC)cc6)c(-c6ccc(CCC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCCC)cc6)c(-c6ccc(CCCC)cc6)nc45)s3)cc21
InChIInChI=1S/C66H78N2S2Si.C64H74N2S2Si.C62H70N2S2Si/c1-7-11-15-17-19-21-43-71(44-22-20-18-16-12-8-2)61-45-47(5)25-36-54(61)55-37-35-53(46-62(55)71)58-41-42-60(70-58)57-39-38-56(59-40-26-48(6)69-59)65-66(57)68-64(52-33-29-50(30-34-52)24-14-10-4)63(67-65)51-31-27-49(28-32-51)23-13-9-3;1-7-11-13-15-17-19-41-69(42-20-18-16-14-12-8-2)59-43-45(5)23-34-52(59)53-35-33-51(44-60(53)69)56-39-40-58(68-56)55-37-36-54(57-38-24-46(6)67-57)63-64(55)66-62(50-31-27-48(22-10-4)28-32-50)61(65-63)49-29-25-47(21-9-3)26-30-49;1-7-11-13-15-17-19-39-67(40-20-18-16-14-12-8-2)57-41-43(5)21-32-50(57)51-33-31-49(42-58(51)67)54-37-38-56(66-54)53-35-34-52(55-36-22-44(6)65-55)61-62(53)64-60(48-29-25-46(10-4)26-30-48)59(63-61)47-27-23-45(9-3)24-28-47/h25-42,45-46H,7-24,43-44H2,1-6H3;23-40,43-44H,7-22,41-42H2,1-6H3;21-38,41-42H,7-20,39-40H2,1-6H3
InChIKeyRPNLTTPRODWVCM-UHFFFAOYSA-N
MW2890.59 g/mol
LogP56.62
Rot. Bonds69

About 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline

2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline (PubChem CID 160692052) has the molecular formula C192H222N6S6Si3 and a molecular weight of 2890.59 g/mol. Its IUPAC name is 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline
PubChem CID160692052
Molecular FormulaC192H222N6S6Si3
Molecular Weight2890.59 g/mol
Exact Mass2887.52
IUPAC Name2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline
SMILESCCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CC)cc6)c(-c6ccc(CC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCC)cc6)c(-c6ccc(CCC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCCC)cc6)c(-c6ccc(CCCC)cc6)nc45)s3)cc21
InChIInChI=1S/C66H78N2S2Si.C64H74N2S2Si.C62H70N2S2Si/c1-7-11-15-17-19-21-43-71(44-22-20-18-16-12-8-2)61-45-47(5)25-36-54(61)55-37-35-53(46-62(55)71)58-41-42-60(70-58)57-39-38-56(59-40-26-48(6)69-59)65-66(57)68-64(52-33-29-50(30-34-52)24-14-10-4)63(67-65)51-31-27-49(28-32-51)23-13-9-3;1-7-11-13-15-17-19-41-69(42-20-18-16-14-12-8-2)59-43-45(5)23-34-52(59)53-35-33-51(44-60(53)69)56-39-40-58(68-56)55-37-36-54(57-38-24-46(6)67-57)63-64(55)66-62(50-31-27-48(22-10-4)28-32-50)61(65-63)49-29-25-47(21-9-3)26-30-49;1-7-11-13-15-17-19-39-67(40-20-18-16-14-12-8-2)57-41-43(5)21-32-50(57)51-33-31-49(42-58(51)67)54-37-38-56(66-54)53-35-34-52(55-36-22-44(6)65-55)61-62(53)64-60(48-29-25-46(10-4)26-30-48)59(63-61)47-27-23-45(9-3)24-28-47/h25-42,45-46H,7-24,43-44H2,1-6H3;23-40,43-44H,7-22,41-42H2,1-6H3;21-38,41-42H,7-20,39-40H2,1-6H3
InChIKeyRPNLTTPRODWVCM-UHFFFAOYSA-N
XLogP56.62
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds69
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.59
LogP ≤ 556.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline?
The IUPAC name of 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline (CID 160692052) is 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline is CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CC)cc6)c(-c6ccc(CC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCC)cc6)c(-c6ccc(CCC)cc6)nc45)s3)cc21.CCCCCCCC[Si]1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(CCCC)cc6)c(-c6ccc(CCCC)cc6)nc45)s3)cc21.
What is the InChIKey of 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline?
The InChIKey is RPNLTTPRODWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H78N2S2Si.C64H74N2S2Si.C62H70N2S2Si/c1-7-11-15-17-19-21-43-71(44-22-20-18-16-12-8-2)61-45-47(5)25-36-54(61)55-37-35-53(46-62(55)71)58-41-42-60(70-58)57-39-38-56(59-40-26-48(6)69-59)65-66(57)68-64(52-33-29-50(30-34-52)24-14-10-4)63(67-65)51-31-27-49(28-32-51)23-13-9-3;1-7-11-13-15-17-19-41-69(42-20-18-16-14-12-8-2)59-43-45(5)23-34-52(59)53-35-33-51(44-60(53)69)56-39-40-58(68-56)55-37-36-54(57-38-24-46(6)67-57)63-64(55)66-62(50-31-27-48(22-10-4)28-32-50)61(65-63)49-29-25-47(21-9-3)26-30-49;1-7-11-13-15-17-19-39-67(40-20-18-16-14-12-8-2)57-41-43(5)21-32-50(57)51-33-31-49(42-58(51)67)54-37-38-56(66-54)53-35-34-52(55-36-22-44(6)65-55)61-62(53)64-60(48-29-25-46(10-4)26-30-48)59(63-61)47-27-23-45(9-3)24-28-47/h25-42,45-46H,7-24,43-44H2,1-6H3;23-40,43-44H,7-22,41-42H2,1-6H3;21-38,41-42H,7-20,39-40H2,1-6H3.
What are the key properties of 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline?
2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline has a molecular weight of 2890.59 g/mol, XLogP of 56.62, 69 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-butylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;2,3-bis(4-ethylphenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline is sourced from PubChem (CID 160692052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).