About 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane
7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane (PubChem CID 160630332) has the molecular formula C297H325Br4IN14P2S15Sn
and a molecular weight of 5201.16 g/mol. Its IUPAC name is 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane.
Frequently Asked Questions
What is the IUPAC name of 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane?
The IUPAC name of 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane (CID 160630332) is 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane.
What is the SMILES notation for 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane?
The canonical SMILES for 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane is Brc1ccc(Br)c2nsnc12.C.C.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc(-c5cccs5)cc32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3cnc(-c5cc6c(s5)-c5cc7c(cc5C6(c5ccc(CCCCCC)cc5)c5ccc(CCCCCC)cc5)-c5sc(-c6ncc(-c8cccs8)c8nsnc68)cc5C7(c5ccc(CCCCCC)cc5)c5ccc(CCCCCC)cc5)c5nsnc35)sc2-4)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc(-c5ncc(Br)c6nsnc56)cc32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3ncc(Br)c5nsnc35)sc2-4)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc(C)cc32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc([Sn](C)(C)C)sc2-4)cc1.[3H]P(I)PC.
What is the InChIKey of 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane?
The InChIKey is RHVNNFYITISRFF-PDQJHVOKSA-N. The full InChI is InChI=1S/C146H152N6S8.C74H74Br2N6S4.C65H75S2.C6H2Br2N2S.CH5IP2.2CH4.3CH3.Sn/c1-9-17-25-33-43-97-53-69-105(70-54-97)143(106-71-55-98(56-72-106)44-34-26-18-10-2)119-88-114-120(144(107-73-57-99(58-74-107)45-35-27-19-11-3,108-75-59-100(60-76-108)46-36-28-20-12-4)124-92-130(156-140(114)124)128-52-42-86-154-128)87-113(119)139-123(143)91-129(155-139)118-96-148-136(138-134(118)150-160-152-138)132-94-126-142(158-132)116-90-121-115(89-122(116)146(126,111-81-65-103(66-82-111)49-39-31-23-15-7)112-83-67-104(68-84-112)50-40-32-24-16-8)141-125(93-131(157-141)135-137-133(149-159-151-137)117(95-147-135)127-51-41-85-153-127)145(121,109-77-61-101(62-78-109)47-37-29-21-13-5)110-79-63-102(64-80-110)48-38-30-22-14-6;1-5-9-13-17-21-47-25-33-51(34-26-47)73(52-35-27-48(28-36-52)22-18-14-10-6-2)57-41-56-58(42-55(57)71-59(73)43-63(83-71)67-69-65(79-85-81-69)61(75)45-77-67)74(53-37-29-49(30-38-53)23-19-15-11-7-3,54-39-31-50(32-40-54)24-20-16-12-8-4)60-44-64(84-72(56)60)68-70-66(80-86-82-70)62(76)46-78-68;1-6-10-14-18-22-48-26-34-52(35-27-48)64(53-36-28-49(29-37-53)23-19-15-11-7-2)58-42-43-66-62(58)56-45-60-57(46-59(56)64)63-61(44-47(5)67-63)65(60,54-38-30-50(31-39-54)24-20-16-12-8-3)55-40-32-51(33-41-55)25-21-17-13-9-4;7-3-1-2-4(8)6-5(3)9-11-10-6;1-3-4-2;;;;;;/h41-42,51-96H,9-40,43-50H2,1-8H3;25-46H,5-24H2,1-4H3;26-42,44-46H,6-25H2,1-5H3;1-2H;3-4H,1H3;2*1H4;3*1H3;/i;;;;4T;;;;;;.
What are the key properties of 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane?
7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane has a molecular weight of 5201.16 g/mol, XLogP of 92.92, 105 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[15-(7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-dibromo-2,1,3-benzothiadiazole;iodo-methylphosphanyl-tritiophosphane;methane;4-[9,9,18,18-tetrakis(4-hexylphenyl)-15-[7-[9,9,18,18-tetrakis(4-hexylphenyl)-15-thiophen-2-yl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-7-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine;trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-methyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]stannane is sourced from PubChem (CID 160630332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).