4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline

C215H265FN8S20Se2 — CID 162449926

IUPAC4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(-c2c3cc(-c4ccc(-c5c6cnccc6c(-c6cc(CCCCCC)c(C)s6)c6nnsc56)s4)sc3c(-c3ccc(CC(CCCCCC)CCCCCCCC)s3)c3cc(-c4ccc(-c5c6ccncc6c(-c6cc(CCCCCC)c(-c7cc8c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13cc%14c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%15sc(-c%16cccs%16)cc%15c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%14s%13)[se]%12)c%12snnc%11%12)[se]%10)cc9c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c8s7)s6)c6snnc56)s4)sc23)s1
InChIInChI=1S/C215H265FN8S20Se2/c1-16-30-44-58-64-76-91-143(85-70-50-36-22-7)125-151-100-106-173(227-151)194-161-135-181(236-208(161)195(174-107-101-152(228-174)126-144(86-71-51-37-23-8)92-77-65-59-45-31-17-2)162-136-182(237-209(162)194)171-113-115-179(234-171)200-166-140-217-123-121-158(166)193(205-213(200)242-224-221-205)185-131-149(142(15)226-185)97-82-56-42-28-13)170-112-114-172(233-170)192-157-120-122-218-141-167(157)201(214-204(192)220-223-243-214)186-132-150(98-83-57-43-29-14)206(240-186)187-139-165-199(178-111-105-156(232-178)130-148(90-75-55-41-27-12)96-81-69-63-49-35-21-6)211-164(198(212(165)241-187)177-110-104-155(231-177)129-147(89-74-54-40-26-11)95-80-68-62-48-34-20-5)137-183(238-211)189-117-116-188(245-189)159-133-168(216)202(215-203(159)219-222-244-215)191-119-118-190(246-191)184-138-163-197(176-109-103-154(230-176)128-146(88-73-53-39-25-10)94-79-67-61-47-33-19-4)207-160(134-180(235-207)169-99-84-124-225-169)196(210(163)239-184)175-108-102-153(229-175)127-145(87-72-52-38-24-9)93-78-66-60-46-32-18-3/h84,99-124,131-141,143-148H,16-83,85-98,125-130H2,1-15H3
InChIKeySLOOZHCWIFYWIW-UHFFFAOYSA-N
MW3779.80 g/mol
LogP78.85
Rot. Bonds112

About 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline

4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline (PubChem CID 162449926) has the molecular formula C215H265FN8S20Se2 and a molecular weight of 3779.80 g/mol. Its IUPAC name is 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline
PubChem CID162449926
Molecular FormulaC215H265FN8S20Se2
Molecular Weight3779.80 g/mol
Exact Mass3777.37
IUPAC Name4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(-c2c3cc(-c4ccc(-c5c6cnccc6c(-c6cc(CCCCCC)c(C)s6)c6nnsc56)s4)sc3c(-c3ccc(CC(CCCCCC)CCCCCCCC)s3)c3cc(-c4ccc(-c5c6ccncc6c(-c6cc(CCCCCC)c(-c7cc8c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13cc%14c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%15sc(-c%16cccs%16)cc%15c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%14s%13)[se]%12)c%12snnc%11%12)[se]%10)cc9c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c8s7)s6)c6snnc56)s4)sc23)s1
InChIInChI=1S/C215H265FN8S20Se2/c1-16-30-44-58-64-76-91-143(85-70-50-36-22-7)125-151-100-106-173(227-151)194-161-135-181(236-208(161)195(174-107-101-152(228-174)126-144(86-71-51-37-23-8)92-77-65-59-45-31-17-2)162-136-182(237-209(162)194)171-113-115-179(234-171)200-166-140-217-123-121-158(166)193(205-213(200)242-224-221-205)185-131-149(142(15)226-185)97-82-56-42-28-13)170-112-114-172(233-170)192-157-120-122-218-141-167(157)201(214-204(192)220-223-243-214)186-132-150(98-83-57-43-29-14)206(240-186)187-139-165-199(178-111-105-156(232-178)130-148(90-75-55-41-27-12)96-81-69-63-49-35-21-6)211-164(198(212(165)241-187)177-110-104-155(231-177)129-147(89-74-54-40-26-11)95-80-68-62-48-34-20-5)137-183(238-211)189-117-116-188(245-189)159-133-168(216)202(215-203(159)219-222-244-215)191-119-118-190(246-191)184-138-163-197(176-109-103-154(230-176)128-146(88-73-53-39-25-10)94-79-67-61-47-33-19-4)207-160(134-180(235-207)169-99-84-124-225-169)196(210(163)239-184)175-108-102-153(229-175)127-145(87-72-52-38-24-9)93-78-66-60-46-32-18-3/h84,99-124,131-141,143-148H,16-83,85-98,125-130H2,1-15H3
InChIKeySLOOZHCWIFYWIW-UHFFFAOYSA-N
XLogP78.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds112
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003779.80
LogP ≤ 578.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline with MolForge

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Related Compounds

4-[5-[4,8-Bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-7-[5-[2-[3-dodecyl-5-[8-[4-dodecyl-5-[6-[8-(4-dodecyl-5-methylthiophen-2-yl)-6,7-difluoro-3-methyl-2-phenylquinoxalin-5-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-2,3-dimethylquinoxalin-5-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]selenophen-2-yl]-1,2,3-benzothiadiazole
CID 162449930
2,7-Bis(4-fluoro-5-quinolin-3-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314194
9-[3-[4,6-Bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]cinnolin-7-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 126632439
9-[3-[4,6-Bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 126632444
9-[3-[4,5-Bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinolin-6-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 126632448
9-[3-[4,7-Bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 126632449
12-Benzo[h]quinolin-8-yl-2-(12-isoquinolin-6-yl-[1]benzothiolo[2,3-a]carbazol-8-yl)-8-[12-(1,10-phenanthrolin-3-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 130369558
9-Isoquinolin-6-yl-20-(12-isoquinolin-6-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaen-7-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 130369660
6-[2-[3-(1,3-Benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole
CID 139455038
2-[3-(1,3-Benzothiazol-2-yl)-5-(4-quinolin-4-ylphenyl)phenyl]-6-[6-[4-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]phenanthridin-3-yl]-1,3-benzothiazole
CID 139455068
8-(10,26-Dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene
CID 146513205
4-Phenyl-7-(10-phenyl-26-thia-10,23-diazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-26-thia-4,23-diazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene
CID 154992088

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline?
The IUPAC name of 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline (CID 162449926) is 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline.
What is the SMILES notation for 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline?
The canonical SMILES for 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline is CCCCCCCCC(CCCCCC)Cc1ccc(-c2c3cc(-c4ccc(-c5c6cnccc6c(-c6cc(CCCCCC)c(C)s6)c6nnsc56)s4)sc3c(-c3ccc(CC(CCCCCC)CCCCCCCC)s3)c3cc(-c4ccc(-c5c6ccncc6c(-c6cc(CCCCCC)c(-c7cc8c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13cc%14c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%15sc(-c%16cccs%16)cc%15c(-c%15ccc(CC(CCCCCC)CCCCCCCC)s%15)c%14s%13)[se]%12)c%12snnc%11%12)[se]%10)cc9c(-c9ccc(CC(CCCCCC)CCCCCCCC)s9)c8s7)s6)c6snnc56)s4)sc23)s1.
What is the InChIKey of 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline?
The InChIKey is SLOOZHCWIFYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C215H265FN8S20Se2/c1-16-30-44-58-64-76-91-143(85-70-50-36-22-7)125-151-100-106-173(227-151)194-161-135-181(236-208(161)195(174-107-101-152(228-174)126-144(86-71-51-37-23-8)92-77-65-59-45-31-17-2)162-136-182(237-209(162)194)171-113-115-179(234-171)200-166-140-217-123-121-158(166)193(205-213(200)242-224-221-205)185-131-149(142(15)226-185)97-82-56-42-28-13)170-112-114-172(233-170)192-157-120-122-218-141-167(157)201(214-204(192)220-223-243-214)186-132-150(98-83-57-43-29-14)206(240-186)187-139-165-199(178-111-105-156(232-178)130-148(90-75-55-41-27-12)96-81-69-63-49-35-21-6)211-164(198(212(165)241-187)177-110-104-155(231-177)129-147(89-74-54-40-26-11)95-80-68-62-48-34-20-5)137-183(238-211)189-117-116-188(245-189)159-133-168(216)202(215-203(159)219-222-244-215)191-119-118-190(246-191)184-138-163-197(176-109-103-154(230-176)128-146(88-73-53-39-25-10)94-79-67-61-47-33-19-4)207-160(134-180(235-207)169-99-84-124-225-169)196(210(163)239-184)175-108-102-153(229-175)127-145(87-72-52-38-24-9)93-78-66-60-46-32-18-3/h84,99-124,131-141,143-148H,16-83,85-98,125-130H2,1-15H3.
What are the key properties of 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline?
4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline has a molecular weight of 3779.80 g/mol, XLogP of 78.85, 112 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[5-[4-[5-[6-[5-[7-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-thiophen-2-ylthieno[2,3-f][1]benzothiol-2-yl]selenophen-2-yl]-6-fluoro-1,2,3-benzothiadiazol-4-yl]selenophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-hexylthiophen-2-yl]thiadiazolo[4,5-g]isoquinolin-9-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-9-(4-hexyl-5-methylthiophen-2-yl)thiadiazolo[4,5-g]isoquinoline is sourced from PubChem (CID 162449926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).