bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline

C164H234Br2N4P8S8Sn2 — CID 158699208

IUPACbis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
SMILESCCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4cc5c(CCCCCCCC)c(CCCCCCCC)c6cc(C)sc6c5s4)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1C.CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1Br.CCCCCCCCc1c(CCCCCCCC)c2cc([Sn](C)(C)C)sc2c2sc([Sn](C)(C)C)cc12.PP(P)P(P)P(P)P
InChIInChI=1S/C80H106N2S4.C52H64Br2N2S2.C26H36S2.6CH3.H10P8.2Sn/c1-7-11-15-19-23-25-27-29-31-37-49-63-56-71(84-60(63)6)67-53-54-68(77-76(67)81-74(61-45-39-35-40-46-61)75(82-77)62-47-41-36-42-48-62)72-57-64(50-38-32-30-28-26-24-20-16-12-8-2)78(85-72)73-58-70-66(52-44-34-22-18-14-10-4)65(51-43-33-21-17-13-9-3)69-55-59(5)83-79(69)80(70)86-73;1-3-5-7-9-11-13-15-17-19-23-33-41-37-45(57-51(41)53)43-35-36-44(46-38-42(52(54)58-46)34-24-20-18-16-14-12-10-8-6-4-2)50-49(43)55-47(39-29-25-21-26-30-39)48(56-50)40-31-27-22-28-32-40;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)24-18-20-28-26(24)25-23(21)17-19-27-25;;;;;;;1-6(2)8(5)7(3)4;;/h35-36,39-42,45-48,53-58H,7-34,37-38,43-44,49-52H2,1-6H3;21-22,25-32,35-38H,3-20,23-24,33-34H2,1-2H3;17-18H,3-16H2,1-2H3;6*1H3;1-5H2;;
InChIKeyIHHZYUAOWRWNHC-UHFFFAOYSA-N
MW3163.26 g/mol
LogP61.96
Rot. Bonds85

About bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline

bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline (PubChem CID 158699208) has the molecular formula C164H234Br2N4P8S8Sn2 and a molecular weight of 3163.26 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
PubChem CID158699208
Molecular FormulaC164H234Br2N4P8S8Sn2
Molecular Weight3163.26 g/mol
Exact Mass3161.05
IUPAC Namebis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
SMILESCCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4cc5c(CCCCCCCC)c(CCCCCCCC)c6cc(C)sc6c5s4)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1C.CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1Br.CCCCCCCCc1c(CCCCCCCC)c2cc([Sn](C)(C)C)sc2c2sc([Sn](C)(C)C)cc12.PP(P)P(P)P(P)P
InChIInChI=1S/C80H106N2S4.C52H64Br2N2S2.C26H36S2.6CH3.H10P8.2Sn/c1-7-11-15-19-23-25-27-29-31-37-49-63-56-71(84-60(63)6)67-53-54-68(77-76(67)81-74(61-45-39-35-40-46-61)75(82-77)62-47-41-36-42-48-62)72-57-64(50-38-32-30-28-26-24-20-16-12-8-2)78(85-72)73-58-70-66(52-44-34-22-18-14-10-4)65(51-43-33-21-17-13-9-3)69-55-59(5)83-79(69)80(70)86-73;1-3-5-7-9-11-13-15-17-19-23-33-41-37-45(57-51(41)53)43-35-36-44(46-38-42(52(54)58-46)34-24-20-18-16-14-12-10-8-6-4-2)50-49(43)55-47(39-29-25-21-26-30-39)48(56-50)40-31-27-22-28-32-40;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)24-18-20-28-26(24)25-23(21)17-19-27-25;;;;;;;1-6(2)8(5)7(3)4;;/h35-36,39-42,45-48,53-58H,7-34,37-38,43-44,49-52H2,1-6H3;21-22,25-32,35-38H,3-20,23-24,33-34H2,1-2H3;17-18H,3-16H2,1-2H3;6*1H3;1-5H2;;
InChIKeyIHHZYUAOWRWNHC-UHFFFAOYSA-N
XLogP61.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds85
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003163.26
LogP ≤ 561.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline with MolForge

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Related Compounds

5-methyl-8-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)-2,3-diphenylquinoxaline
CID 89447962
9-methyl-2-[8-methyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)-3-phenylquinoxalin-2-yl]carbazole
CID 89447975
5,8-bis(5-bromo-4-hexadecylthiophen-2-yl)-2,3-bis(4-octoxyphenyl)quinoxaline
CID 102130923
4-[5-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-[5-[2-[3-dodecyl-5-[7-(4-dodecyl-5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-bis(2-hexyldecoxy)thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 170253329
5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)-4-pentylthiophen-2-yl]-8-(5-methyl-4-pentylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500651
2-bromo-5-(5-bromo-4-octylthiophen-2-yl)-3-octylthiophene;methane;2-[3-methyl-5-[5-(5-methyl-4-octylthiophen-2-yl)-3-octylthiophen-2-yl]thiophen-2-yl]-5-(5-methyl-3-octoxythiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;trimethyl-[4-methyl-5-[5-(3-octoxy-5-trimethylstannylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]stannane
CID 158448281
5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)-4-propylthiophen-2-yl]-8-(5-methyl-4-propylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500612
5-[5-[4,8-bis(2-decyltetradecyl)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]-2-(4-hexyl-5-methylthiophen-2-yl)pyrrolo[3,2-b]pyrrole-3,6-dione
CID 122663866
5-[5-(9,9-dihexyl-7-methylfluoren-2-yl)-4-propylthiophen-2-yl]-8-(5-methyl-4-propylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500715
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
4-(4-hexyl-5-methylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 147935099
2-bromo-3-dodecyl-5-(3-phenylthiophen-2-yl)thiophene
CID 11027364

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline (CID 158699208) is bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline is CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4cc5c(CCCCCCCC)c(CCCCCCCC)c6cc(C)sc6c5s4)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1C.CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(Br)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)sc1Br.CCCCCCCCc1c(CCCCCCCC)c2cc([Sn](C)(C)C)sc2c2sc([Sn](C)(C)C)cc12.PP(P)P(P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline?
The InChIKey is IHHZYUAOWRWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H106N2S4.C52H64Br2N2S2.C26H36S2.6CH3.H10P8.2Sn/c1-7-11-15-19-23-25-27-29-31-37-49-63-56-71(84-60(63)6)67-53-54-68(77-76(67)81-74(61-45-39-35-40-46-61)75(82-77)62-47-41-36-42-48-62)72-57-64(50-38-32-30-28-26-24-20-16-12-8-2)78(85-72)73-58-70-66(52-44-34-22-18-14-10-4)65(51-43-33-21-17-13-9-3)69-55-59(5)83-79(69)80(70)86-73;1-3-5-7-9-11-13-15-17-19-23-33-41-37-45(57-51(41)53)43-35-36-44(46-38-42(52(54)58-46)34-24-20-18-16-14-12-10-8-6-4-2)50-49(43)55-47(39-29-25-21-26-30-39)48(56-50)40-31-27-22-28-32-40;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)24-18-20-28-26(24)25-23(21)17-19-27-25;;;;;;;1-6(2)8(5)7(3)4;;/h35-36,39-42,45-48,53-58H,7-34,37-38,43-44,49-52H2,1-6H3;21-22,25-32,35-38H,3-20,23-24,33-34H2,1-2H3;17-18H,3-16H2,1-2H3;6*1H3;1-5H2;;.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline?
bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline has a molecular weight of 3163.26 g/mol, XLogP of 61.96, 85 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-phosphanylphosphane;5,8-bis(5-bromo-4-dodecylthiophen-2-yl)-2,3-diphenylquinoxaline;(4,5-dioctyl-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane;5-[4-dodecyl-5-(7-methyl-4,5-dioctylthieno[3,2-g][1]benzothiol-2-yl)thiophen-2-yl]-8-(4-dodecyl-5-methylthiophen-2-yl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 158699208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).