12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine

C442H428N4O4 — CID 161070593

IUPAC12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-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)ccc7-8)cc6)c6cc7c(c8c6oc6ccccc68)-c6c(cc(N(c8ccccc8)c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-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)ccc%11-%12)ccc9-%10)cc8)c8oc9ccccc9c68)C7(C)C)cc5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(N(c%10ccccc%10)c%10cc%11c(c%12oc%13ccccc%13c%10%12)-c%10c(cc(N(c%12ccccc%12)c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(C)(C)c%17cc(-c%19ccc%20c(c%19)C(CCCCCCCC)(CCCCCCCC)c%19ccccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)cc%12)c%12c%10oc%10ccccc%10%12)C%11(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C243H240N2O2.C199H188N2O2/c1-23-29-35-41-47-66-130-241(131-67-48-42-36-30-24-2)201-79-61-56-74-179(201)196-127-104-172(150-218(196)241)169-101-124-187-184-115-92-160(138-206(184)235(11,12)215(187)147-169)157-88-111-178(112-89-157)245(177-109-86-156(87-110-177)159-91-114-183-186-117-94-162(140-208(186)234(9,10)205(183)137-159)164-96-119-189-191-121-98-166(144-212(191)237(15,16)210(189)142-164)168-100-123-193-195-126-103-171(149-217(195)239(19,20)214(193)146-168)174-106-129-198-181-76-58-63-81-203(181)243(220(198)152-174,134-70-51-45-39-33-27-5)135-71-52-46-40-34-28-6)224-154-222-230(228-200-78-60-65-83-226(200)247-232(224)228)229-221(240(222,21)22)153-223(231-227(229)199-77-59-64-82-225(199)246-231)244(175-72-54-53-55-73-175)176-107-84-155(85-108-176)158-90-113-182-185-116-93-161(139-207(185)233(7,8)204(182)136-158)163-95-118-188-190-120-97-165(143-211(190)236(13,14)209(188)141-163)167-99-122-192-194-125-102-170(148-216(194)238(17,18)213(192)145-167)173-105-128-197-180-75-57-62-80-202(180)242(219(197)151-173,132-68-49-43-37-31-25-3)133-69-50-44-38-32-26-4;1-19-23-27-31-35-53-105-198(106-54-36-32-28-24-20-2)163-65-49-45-61-145(163)159-103-85-139(121-177(159)198)137-83-101-157-155-99-81-135(117-173(155)195(13,14)175(157)119-137)133-79-97-153-151-95-77-131(113-169(151)193(9,10)171(153)115-133)129-75-93-149-147-91-73-127(109-165(147)191(5,6)167(149)111-129)125-69-87-143(88-70-125)200(141-57-41-39-42-58-141)181-123-179-187(189-185(181)161-63-47-51-67-183(161)202-189)188-180(197(179,17)18)124-182(186-162-64-48-52-68-184(162)203-190(186)188)201(142-59-43-40-44-60-142)144-89-71-126(72-90-144)128-74-92-148-150-94-76-130(112-168(150)192(7,8)166(148)110-128)132-78-96-152-154-98-80-134(116-172(154)194(11,12)170(152)114-132)136-82-100-156-158-102-84-138(120-176(158)196(15,16)174(156)118-136)140-86-104-160-146-62-46-50-66-164(146)199(178(160)122-140,107-55-37-33-29-25-21-3)108-56-38-34-30-26-22-4/h53-65,72-129,136-154H,23-52,66-71,130-135H2,1-22H3;39-52,57-104,109-124H,19-38,53-56,105-108H2,1-18H3
InChIKeyUEPFTRWKJPHTRR-UHFFFAOYSA-N
MW5860.31 g/mol
LogP128.29
Rot. Bonds100

About 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine

12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine (PubChem CID 161070593) has the molecular formula C442H428N4O4 and a molecular weight of 5860.31 g/mol. Its IUPAC name is 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine.

Molecular Properties

Compound Name12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
PubChem CID161070593
Molecular FormulaC442H428N4O4
Molecular Weight5860.31 g/mol
Exact Mass5855.34
IUPAC Name12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-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)ccc7-8)cc6)c6cc7c(c8c6oc6ccccc68)-c6c(cc(N(c8ccccc8)c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-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)ccc%11-%12)ccc9-%10)cc8)c8oc9ccccc9c68)C7(C)C)cc5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(N(c%10ccccc%10)c%10cc%11c(c%12oc%13ccccc%13c%10%12)-c%10c(cc(N(c%12ccccc%12)c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(C)(C)c%17cc(-c%19ccc%20c(c%19)C(CCCCCCCC)(CCCCCCCC)c%19ccccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)cc%12)c%12c%10oc%10ccccc%10%12)C%11(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C243H240N2O2.C199H188N2O2/c1-23-29-35-41-47-66-130-241(131-67-48-42-36-30-24-2)201-79-61-56-74-179(201)196-127-104-172(150-218(196)241)169-101-124-187-184-115-92-160(138-206(184)235(11,12)215(187)147-169)157-88-111-178(112-89-157)245(177-109-86-156(87-110-177)159-91-114-183-186-117-94-162(140-208(186)234(9,10)205(183)137-159)164-96-119-189-191-121-98-166(144-212(191)237(15,16)210(189)142-164)168-100-123-193-195-126-103-171(149-217(195)239(19,20)214(193)146-168)174-106-129-198-181-76-58-63-81-203(181)243(220(198)152-174,134-70-51-45-39-33-27-5)135-71-52-46-40-34-28-6)224-154-222-230(228-200-78-60-65-83-226(200)247-232(224)228)229-221(240(222,21)22)153-223(231-227(229)199-77-59-64-82-225(199)246-231)244(175-72-54-53-55-73-175)176-107-84-155(85-108-176)158-90-113-182-185-116-93-161(139-207(185)233(7,8)204(182)136-158)163-95-118-188-190-120-97-165(143-211(190)236(13,14)209(188)141-163)167-99-122-192-194-125-102-170(148-216(194)238(17,18)213(192)145-167)173-105-128-197-180-75-57-62-80-202(180)242(219(197)151-173,132-68-49-43-37-31-25-3)133-69-50-44-38-32-26-4;1-19-23-27-31-35-53-105-198(106-54-36-32-28-24-20-2)163-65-49-45-61-145(163)159-103-85-139(121-177(159)198)137-83-101-157-155-99-81-135(117-173(155)195(13,14)175(157)119-137)133-79-97-153-151-95-77-131(113-169(151)193(9,10)171(153)115-133)129-75-93-149-147-91-73-127(109-165(147)191(5,6)167(149)111-129)125-69-87-143(88-70-125)200(141-57-41-39-42-58-141)181-123-179-187(189-185(181)161-63-47-51-67-183(161)202-189)188-180(197(179,17)18)124-182(186-162-64-48-52-68-184(162)203-190(186)188)201(142-59-43-40-44-60-142)144-89-71-126(72-90-144)128-74-92-148-150-94-76-130(112-168(150)192(7,8)166(148)110-128)132-78-96-152-154-98-80-134(116-172(154)194(11,12)170(152)114-132)136-82-100-156-158-102-84-138(120-176(158)196(15,16)174(156)118-136)140-86-104-160-146-62-46-50-66-164(146)199(178(160)122-140,107-55-37-33-29-25-21-3)108-56-38-34-30-26-22-4/h53-65,72-129,136-154H,23-52,66-71,130-135H2,1-22H3;39-52,57-104,109-124H,19-38,53-56,105-108H2,1-18H3
InChIKeyUEPFTRWKJPHTRR-UHFFFAOYSA-N
XLogP128.29
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds100
Heavy Atoms450
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005860.31
LogP ≤ 5128.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine with MolForge

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Related Compounds

12-N-[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 138662151
12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-15,15-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 155323798
15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-N-diphenyl-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(27),23,25-dodecaene-15,24-diamine
CID 155458207
24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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(27),23,25-dodecaene-15,24-diamine
CID 139483256
12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 159741907
N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-N-(18,18,21,21-tetramethyl-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-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 139482910
15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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(27),23,25-dodecaen-24-amine
CID 164754672
5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
CID 161250975
N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 168838310
N-dibenzofuran-4-yl-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 171449753
N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-18,18,21,21-tetramethyl-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 165378157
N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[4-[7-(9-heptyl-9-pentylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-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 165378132

Frequently Asked Questions

What is the IUPAC name of 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?
The IUPAC name of 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine (CID 161070593) is 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine.
What is the SMILES notation for 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?
The canonical SMILES for 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-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)ccc7-8)cc6)c6cc7c(c8c6oc6ccccc68)-c6c(cc(N(c8ccccc8)c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-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)ccc%11-%12)ccc9-%10)cc8)c8oc9ccccc9c68)C7(C)C)cc5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(N(c%10ccccc%10)c%10cc%11c(c%12oc%13ccccc%13c%10%12)-c%10c(cc(N(c%12ccccc%12)c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(C)(C)c%17cc(-c%19ccc%20c(c%19)C(CCCCCCCC)(CCCCCCCC)c%19ccccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)cc%12)c%12c%10oc%10ccccc%10%12)C%11(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?
The InChIKey is UEPFTRWKJPHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C243H240N2O2.C199H188N2O2/c1-23-29-35-41-47-66-130-241(131-67-48-42-36-30-24-2)201-79-61-56-74-179(201)196-127-104-172(150-218(196)241)169-101-124-187-184-115-92-160(138-206(184)235(11,12)215(187)147-169)157-88-111-178(112-89-157)245(177-109-86-156(87-110-177)159-91-114-183-186-117-94-162(140-208(186)234(9,10)205(183)137-159)164-96-119-189-191-121-98-166(144-212(191)237(15,16)210(189)142-164)168-100-123-193-195-126-103-171(149-217(195)239(19,20)214(193)146-168)174-106-129-198-181-76-58-63-81-203(181)243(220(198)152-174,134-70-51-45-39-33-27-5)135-71-52-46-40-34-28-6)224-154-222-230(228-200-78-60-65-83-226(200)247-232(224)228)229-221(240(222,21)22)153-223(231-227(229)199-77-59-64-82-225(199)246-231)244(175-72-54-53-55-73-175)176-107-84-155(85-108-176)158-90-113-182-185-116-93-161(139-207(185)233(7,8)204(182)136-158)163-95-118-188-190-120-97-165(143-211(190)236(13,14)209(188)141-163)167-99-122-192-194-125-102-170(148-216(194)238(17,18)213(192)145-167)173-105-128-197-180-75-57-62-80-202(180)242(219(197)151-173,132-68-49-43-37-31-25-3)133-69-50-44-38-32-26-4;1-19-23-27-31-35-53-105-198(106-54-36-32-28-24-20-2)163-65-49-45-61-145(163)159-103-85-139(121-177(159)198)137-83-101-157-155-99-81-135(117-173(155)195(13,14)175(157)119-137)133-79-97-153-151-95-77-131(113-169(151)193(9,10)171(153)115-133)129-75-93-149-147-91-73-127(109-165(147)191(5,6)167(149)111-129)125-69-87-143(88-70-125)200(141-57-41-39-42-58-141)181-123-179-187(189-185(181)161-63-47-51-67-183(161)202-189)188-180(197(179,17)18)124-182(186-162-64-48-52-68-184(162)203-190(186)188)201(142-59-43-40-44-60-142)144-89-71-126(72-90-144)128-74-92-148-150-94-76-130(112-168(150)192(7,8)166(148)110-128)132-78-96-152-154-98-80-134(116-172(154)194(11,12)170(152)114-132)136-82-100-156-158-102-84-138(120-176(158)196(15,16)174(156)118-136)140-86-104-160-146-62-46-50-66-164(146)199(178(160)122-140,107-55-37-33-29-25-21-3)108-56-38-34-30-26-22-4/h53-65,72-129,136-154H,23-52,66-71,130-135H2,1-22H3;39-52,57-104,109-124H,19-38,53-56,105-108H2,1-18H3.
What are the key properties of 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?
12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine has a molecular weight of 5860.31 g/mol, XLogP of 128.29, 100 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine is sourced from PubChem (CID 161070593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).