2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline

C215H260F2N6S6 — CID 159260946

IUPAC2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)C)cc6)c(-c6ccc(C(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)s3)cc21
InChIInChI=1S/C75H94N2S2.C73H90N2S2.C67H76F2N2S2/c1-11-13-15-17-19-21-23-25-27-29-49-75(50-30-28-26-24-22-20-18-16-14-12-2)64-51-53(3)31-42-60(64)61-43-37-57(52-65(61)75)66-47-48-68(79-66)63-45-44-62(67-46-32-54(4)78-67)71-72(63)77-70(56-35-40-59(41-36-56)74(8,9)10)69(76-71)55-33-38-58(39-34-55)73(5,6)7;1-9-11-13-15-17-19-21-23-25-27-47-73(48-28-26-24-22-20-18-16-14-12-10-2)64-49-53(7)29-40-60(64)61-41-39-59(50-65(61)73)66-45-46-68(77-66)63-43-42-62(67-44-30-54(8)76-67)71-72(63)75-70(58-37-33-56(34-38-58)52(5)6)69(74-71)57-35-31-55(32-36-57)51(3)4;1-5-7-9-11-13-15-17-19-21-23-43-67(44-24-22-20-18-16-14-12-10-8-6-2)58-45-47(3)25-36-54(58)55-37-31-51(46-59(55)67)60-41-42-62(73-60)57-39-38-56(61-40-26-48(4)72-61)65-66(57)71-64(50-29-34-53(69)35-30-50)63(70-65)49-27-32-52(68)33-28-49/h31-48,51-52H,11-30,49-50H2,1-10H3;29-46,49-52H,9-28,47-48H2,1-8H3;25-42,45-46H,5-24,43-44H2,1-4H3
InChIKeyKWMNWIQFHKWQFP-UHFFFAOYSA-N
MW3158.88 g/mol
LogP69.90
Rot. Bonds83

About 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline

2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline (PubChem CID 159260946) has the molecular formula C215H260F2N6S6 and a molecular weight of 3158.88 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline
PubChem CID159260946
Molecular FormulaC215H260F2N6S6
Molecular Weight3158.88 g/mol
Exact Mass3155.88
IUPAC Name2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)C)cc6)c(-c6ccc(C(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)s3)cc21
InChIInChI=1S/C75H94N2S2.C73H90N2S2.C67H76F2N2S2/c1-11-13-15-17-19-21-23-25-27-29-49-75(50-30-28-26-24-22-20-18-16-14-12-2)64-51-53(3)31-42-60(64)61-43-37-57(52-65(61)75)66-47-48-68(79-66)63-45-44-62(67-46-32-54(4)78-67)71-72(63)77-70(56-35-40-59(41-36-56)74(8,9)10)69(76-71)55-33-38-58(39-34-55)73(5,6)7;1-9-11-13-15-17-19-21-23-25-27-47-73(48-28-26-24-22-20-18-16-14-12-10-2)64-49-53(7)29-40-60(64)61-41-39-59(50-65(61)73)66-45-46-68(77-66)63-43-42-62(67-44-30-54(8)76-67)71-72(63)75-70(58-37-33-56(34-38-58)52(5)6)69(74-71)57-35-31-55(32-36-57)51(3)4;1-5-7-9-11-13-15-17-19-21-23-43-67(44-24-22-20-18-16-14-12-10-8-6-2)58-45-47(3)25-36-54(58)55-37-31-51(46-59(55)67)60-41-42-62(73-60)57-39-38-56(61-40-26-48(4)72-61)65-66(57)71-64(50-29-34-53(69)35-30-50)63(70-65)49-27-32-52(68)33-28-49/h31-48,51-52H,11-30,49-50H2,1-10H3;29-46,49-52H,9-28,47-48H2,1-8H3;25-42,45-46H,5-24,43-44H2,1-4H3
InChIKeyKWMNWIQFHKWQFP-UHFFFAOYSA-N
XLogP69.90
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds83
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003158.88
LogP ≤ 569.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline with MolForge

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Related Compounds

5-[5-(9,9-dihexyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propylphenyl)quinoxaline
CID 58500668
5-[5-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500506
5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-dipentylquinoxaline
CID 58500683
6,7-difluoro-2,3-bis(4-methoxyphenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500549
2,3-di(dibenzofuran-3-yl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500640
2-[9,9-didecyl-7-(5-methylthiophen-2-yl)fluoren-2-yl]-5-methylthiophene
CID 21350992
N-(4-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 59431360
6,7-dichloro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;6,7-difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-methylphenyl)-8-(5-methylthiophen-2-yl)quinoxaline;6,7-difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline;7-methyl-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenyl-6-(trifluoromethyl)quinoxaline
CID 161162193
4-[5-(9,9-dihexyl-7-methylfluoren-2-yl)thiophen-2-yl]-5,6-difluoro-7-(5-methylthiophen-2-yl)-2-octylbenzotriazole
CID 90211069
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
5-[5-[5,5-bis(2-ethylhexyl)-7-methylbenzo[b][1]benzosilol-3-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500593
5-[5-[7-[2-(7-methyl-9,9-dioctylfluoren-2-yl)-3,6-dioctylthieno[3,2-b]thiophen-5-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,3-dioctylthieno[3,4-b]pyrazine
CID 89349033

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline (CID 159260946) is 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)(C)C)cc6)c(-c6ccc(C(C)(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(C(C)C)cc6)c(-c6ccc(C(C)C)cc6)nc45)s3)cc21.CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)c5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc45)s3)cc21.
What is the InChIKey of 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline?
The InChIKey is KWMNWIQFHKWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H94N2S2.C73H90N2S2.C67H76F2N2S2/c1-11-13-15-17-19-21-23-25-27-29-49-75(50-30-28-26-24-22-20-18-16-14-12-2)64-51-53(3)31-42-60(64)61-43-37-57(52-65(61)75)66-47-48-68(79-66)63-45-44-62(67-46-32-54(4)78-67)71-72(63)77-70(56-35-40-59(41-36-56)74(8,9)10)69(76-71)55-33-38-58(39-34-55)73(5,6)7;1-9-11-13-15-17-19-21-23-25-27-47-73(48-28-26-24-22-20-18-16-14-12-10-2)64-49-53(7)29-40-60(64)61-41-39-59(50-65(61)73)66-45-46-68(77-66)63-43-42-62(67-44-30-54(8)76-67)71-72(63)75-70(58-37-33-56(34-38-58)52(5)6)69(74-71)57-35-31-55(32-36-57)51(3)4;1-5-7-9-11-13-15-17-19-21-23-43-67(44-24-22-20-18-16-14-12-10-8-6-2)58-45-47(3)25-36-54(58)55-37-31-51(46-59(55)67)60-41-42-62(73-60)57-39-38-56(61-40-26-48(4)72-61)65-66(57)71-64(50-29-34-53(69)35-30-50)63(70-65)49-27-32-52(68)33-28-49/h31-48,51-52H,11-30,49-50H2,1-10H3;29-46,49-52H,9-28,47-48H2,1-8H3;25-42,45-46H,5-24,43-44H2,1-4H3.
What are the key properties of 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline?
2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline has a molecular weight of 3158.88 g/mol, XLogP of 69.90, 83 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenyl)-5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline;5-[5-(9,9-didodecyl-7-methylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-bis(4-propan-2-ylphenyl)quinoxaline is sourced from PubChem (CID 159260946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).