19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

C287H296N2 — CID 155643072

IUPAC19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)cc8)c8ccc9c(c8)C(C)(C)c8cc%10c(cc8-9)C(C)(C)c8cc(N(c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccccc9c8-%10)cc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C287H296N2/c1-29-37-45-53-61-79-153-284(152-78-60-52-44-36-8)246-98-74-70-92-215(246)231-143-118-206(176-267(231)284)204-116-141-229-225-137-112-200(170-256(225)280(21,22)260(229)174-204)198-110-135-223-219-131-106-194(164-250(219)276(13,14)254(223)168-198)186-102-124-210(125-103-186)288(211-126-104-187(105-127-211)195-107-132-220-224-136-111-199(169-255(224)277(15,16)251(220)165-195)201-113-138-226-230-142-117-205(175-261(230)281(23,24)257(226)171-201)209-121-146-234-218-95-73-77-101-249(218)287(270(234)179-209,158-84-66-58-50-42-34-6)159-85-67-59-51-43-35-7)212-128-147-237-242-183-266-243(184-265(242)282(25,26)264(237)180-212)273-239-97-69-68-96-238(239)272(185-271(273)283(266,27)28)289(213-129-148-235-240-162-192(122-150-244(240)274(9,10)262(235)181-213)188-88-86-90-190(160-188)196-108-133-221-227-139-114-202(172-258(227)278(17,18)252(221)166-196)207-119-144-232-216-93-71-75-99-247(216)285(268(232)177-207,154-80-62-54-46-38-30-2)155-81-63-55-47-39-31-3)214-130-149-236-241-163-193(123-151-245(241)275(11,12)263(236)182-214)189-89-87-91-191(161-189)197-109-134-222-228-140-115-203(173-259(228)279(19,20)253(222)167-197)208-120-145-233-217-94-72-76-100-248(217)286(269(233)178-208,156-82-64-56-48-40-32-4)157-83-65-57-49-41-33-5/h68-77,86-151,160-185H,29-67,78-85,152-159H2,1-28H3
InChIKeyPLJBEGLZCJQWBQ-UHFFFAOYSA-N
MW3773.54 g/mol
LogP83.53
Rot. Bonds73

About 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (PubChem CID 155643072) has the molecular formula C287H296N2 and a molecular weight of 3773.54 g/mol. Its IUPAC name is 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.

Molecular Properties

Compound Name19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
PubChem CID155643072
Molecular FormulaC287H296N2
Molecular Weight3773.54 g/mol
Exact Mass3770.32
IUPAC Name19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)cc8)c8ccc9c(c8)C(C)(C)c8cc%10c(cc8-9)C(C)(C)c8cc(N(c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccccc9c8-%10)cc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C287H296N2/c1-29-37-45-53-61-79-153-284(152-78-60-52-44-36-8)246-98-74-70-92-215(246)231-143-118-206(176-267(231)284)204-116-141-229-225-137-112-200(170-256(225)280(21,22)260(229)174-204)198-110-135-223-219-131-106-194(164-250(219)276(13,14)254(223)168-198)186-102-124-210(125-103-186)288(211-126-104-187(105-127-211)195-107-132-220-224-136-111-199(169-255(224)277(15,16)251(220)165-195)201-113-138-226-230-142-117-205(175-261(230)281(23,24)257(226)171-201)209-121-146-234-218-95-73-77-101-249(218)287(270(234)179-209,158-84-66-58-50-42-34-6)159-85-67-59-51-43-35-7)212-128-147-237-242-183-266-243(184-265(242)282(25,26)264(237)180-212)273-239-97-69-68-96-238(239)272(185-271(273)283(266,27)28)289(213-129-148-235-240-162-192(122-150-244(240)274(9,10)262(235)181-213)188-88-86-90-190(160-188)196-108-133-221-227-139-114-202(172-258(227)278(17,18)252(221)166-196)207-119-144-232-216-93-71-75-99-247(216)285(268(232)177-207,154-80-62-54-46-38-30-2)155-81-63-55-47-39-31-3)214-130-149-236-241-163-193(123-151-245(241)275(11,12)263(236)182-214)189-89-87-91-191(161-189)197-109-134-222-228-140-115-203(173-259(228)279(19,20)253(222)167-197)208-120-145-233-217-94-72-76-100-248(217)286(269(233)178-208,156-82-64-56-48-40-32-4)157-83-65-57-49-41-33-5/h68-77,86-151,160-185H,29-67,78-85,152-159H2,1-28H3
InChIKeyPLJBEGLZCJQWBQ-UHFFFAOYSA-N
XLogP83.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds73
Heavy Atoms289
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003773.54
LogP ≤ 583.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine with MolForge

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Related Compounds

19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine;methane;9-N,9-N,19-N,19-N-tetrakis[7-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 159968440
N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323817
N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323944
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624104
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 155323973
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dihexyl-N,N-bis(4-methylnaphthalen-1-yl)fluoren-2-amine
CID 168837048
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838247
8,30-bis[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624097
8,30-bis[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624199
9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 161490284
N-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 164754655
N-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164754744

Frequently Asked Questions

What is the IUPAC name of 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The IUPAC name of 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (CID 155643072) is 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.
What is the SMILES notation for 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The canonical SMILES for 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is CCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)cc8)c8ccc9c(c8)C(C)(C)c8cc%10c(cc8-9)C(C)(C)c8cc(N(c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccc%11c(c9)C(C)(C)c9ccc(-c%12cccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)c%12)cc9-%11)c9ccccc9c8-%10)cc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
The InChIKey is PLJBEGLZCJQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C287H296N2/c1-29-37-45-53-61-79-153-284(152-78-60-52-44-36-8)246-98-74-70-92-215(246)231-143-118-206(176-267(231)284)204-116-141-229-225-137-112-200(170-256(225)280(21,22)260(229)174-204)198-110-135-223-219-131-106-194(164-250(219)276(13,14)254(223)168-198)186-102-124-210(125-103-186)288(211-126-104-187(105-127-211)195-107-132-220-224-136-111-199(169-255(224)277(15,16)251(220)165-195)201-113-138-226-230-142-117-205(175-261(230)281(23,24)257(226)171-201)209-121-146-234-218-95-73-77-101-249(218)287(270(234)179-209,158-84-66-58-50-42-34-6)159-85-67-59-51-43-35-7)212-128-147-237-242-183-266-243(184-265(242)282(25,26)264(237)180-212)273-239-97-69-68-96-238(239)272(185-271(273)283(266,27)28)289(213-129-148-235-240-162-192(122-150-244(240)274(9,10)262(235)181-213)188-88-86-90-190(160-188)196-108-133-221-227-139-114-202(172-258(227)278(17,18)252(221)166-196)207-119-144-232-216-93-71-75-99-247(216)285(268(232)177-207,154-80-62-54-46-38-30-2)155-81-63-55-47-39-31-3)214-130-149-236-241-163-193(123-151-245(241)275(11,12)263(236)182-214)189-89-87-91-191(161-189)197-109-134-222-228-140-115-203(173-259(228)279(19,20)253(222)167-197)208-120-145-233-217-94-72-76-100-248(217)286(269(233)178-208,156-82-64-56-48-40-32-4)157-83-65-57-49-41-33-5/h68-77,86-151,160-185H,29-67,78-85,152-159H2,1-28H3.
What are the key properties of 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?
19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine has a molecular weight of 3773.54 g/mol, XLogP of 83.53, 73 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is sourced from PubChem (CID 155643072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).