bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate

C148H194Br2F4O8P12S16Sn2 — CID 157141149

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate (PubChem CID 157141149) has the molecular formula C148H194Br2F4O8P12S16Sn2 and a molecular weight of 3459.15 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate
• PubChem CID: 157141149
• Molecular Formula: C148H194Br2F4O8P12S16Sn2
• Molecular Weight: 3459.15 g/mol
• Exact Mass: 3456.35
• IUPAC Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate
• SMILES: CCCCC(CC)Cc1sc(-c2c3cc([Sn](C)(C)C)sc3c(-c3cc(F)c(CC(CC)CCCC)s3)c3cc([Sn](C)(C)C)sc23)cc1F.CCCCCCCCOC(=O)c1ccc(-c2c3cc(-c4cc5c(-c6cc(F)c(CC(CC)CCCC)s6)c6sc(C)cc6c(-c6cc(F)c(CC(CC)CCCC)s6)c5s4)sc3c(-c3ccc(C(=O)OCCCCCCCC)s3)c3cc(C)sc23)s1.CCCCCCCCOC(=O)c1ccc(-c2c3cc(Br)sc3c(-c3ccc(C(=O)OCCCCCCCC)s3)c3cc(Br)sc23)s1.PP(P)P(P)P(P(P)P)P(P)P
• InChI: InChI=1S/C72H84F2O4S8.C36H40Br2O4S4.C34H38F2S4.6CH3.H14P12.2Sn/c1-9-15-19-21-23-25-33-77-71(75)55-31-29-53(81-55)63-47-35-43(7)79-67(47)64(54-30-32-56(82-54)72(76)78-34-26-24-22-20-16-10-2)49-39-59(85-69(49)63)60-40-50-66(62-42-52(74)58(84-62)38-46(14-6)28-18-12-4)68-48(36-44(8)80-68)65(70(50)86-60)61-41-51(73)57(83-61)37-45(13-5)27-17-11-3;1-3-5-7-9-11-13-19-41-35(39)27-17-15-25(43-27)31-23-21-29(37)46-34(23)32(24-22-30(38)45-33(24)31)26-16-18-28(44-26)36(40)42-20-14-12-10-8-6-4-2;1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;1-8(2)11(7)12(9(3)4)10(5)6;;/h29-32,35-36,39-42,45-46H,9-28,33-34,37-38H2,1-8H3;15-18,21-22H,3-14,19-20H2,1-2H3;13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;1-7H2
• InChIKey: AKEWLJGCQGKWKL-UHFFFAOYSA-N
• XLogP: 61.75
• TPSA: 105.20 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 71
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3459.15
LogP ≤ 5	61.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate?

The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate (CID 157141149) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate.

What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate?

The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate is CCCCC(CC)Cc1sc(-c2c3cc([Sn](C)(C)C)sc3c(-c3cc(F)c(CC(CC)CCCC)s3)c3cc([Sn](C)(C)C)sc23)cc1F.CCCCCCCCOC(=O)c1ccc(-c2c3cc(-c4cc5c(-c6cc(F)c(CC(CC)CCCC)s6)c6sc(C)cc6c(-c6cc(F)c(CC(CC)CCCC)s6)c5s4)sc3c(-c3ccc(C(=O)OCCCCCCCC)s3)c3cc(C)sc23)s1.CCCCCCCCOC(=O)c1ccc(-c2c3cc(Br)sc3c(-c3ccc(C(=O)OCCCCCCCC)s3)c3cc(Br)sc23)s1.PP(P)P(P)P(P(P)P)P(P)P.

What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate?

The InChIKey is AKEWLJGCQGKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H84F2O4S8.C36H40Br2O4S4.C34H38F2S4.6CH3.H14P12.2Sn/c1-9-15-19-21-23-25-33-77-71(75)55-31-29-53(81-55)63-47-35-43(7)79-67(47)64(54-30-32-56(82-54)72(76)78-34-26-24-22-20-16-10-2)49-39-59(85-69(49)63)60-40-50-66(62-42-52(74)58(84-62)38-46(14-6)28-18-12-4)68-48(36-44(8)80-68)65(70(50)86-60)61-41-51(73)57(83-61)37-45(13-5)27-17-11-3;1-3-5-7-9-11-13-19-41-35(39)27-17-15-25(43-27)31-23-21-29(37)46-34(23)32(24-22-30(38)45-33(24)31)26-16-18-28(44-26)36(40)42-20-14-12-10-8-6-4-2;1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;1-8(2)11(7)12(9(3)4)10(5)6;;/h29-32,35-36,39-42,45-46H,9-28,33-34,37-38H2,1-8H3;15-18,21-22H,3-14,19-20H2,1-2H3;13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;1-7H2;;.

What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate?

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate has a molecular weight of 3459.15 g/mol, XLogP of 61.75, 71 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;octyl 5-[2-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate;octyl 5-[2,6-dibromo-4-(5-octoxycarbonylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophene-2-carboxylate is sourced from PubChem (CID 157141149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).