24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine

C298H294N2O4 — CID 165064541

IUPAC24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine
SMILESCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6c8c(c9oc%10ccccc%10c9c6-7)-c6ccc(N(c7ccc9c(c7)C(C)(C)c7cc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCC)(CCCCCCC)c%13ccccc%13-%14)ccc%11-%12)cc%10)c%10oc%11ccccc%11c%10c7-9)c7c(C)cccc7C)cc6C8(C)C)cc5)ccc3-4)cc21.CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5c7c(c8oc9ccccc9c8c5-6)-c5ccc(N(c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCC)(CCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9oc%10ccccc%10c9c6-8)c6c(C)cccc6C)cc5C7(C)C)ccc3-4)cc21
InChIInChI=1S/C155H151NO2.C143H143NO2/c1-17-21-25-29-41-82-154(83-42-30-26-22-18-2)125-52-37-33-48-111(125)117-77-68-107(91-134(117)154)105-66-75-115-113-73-64-102(86-127(113)149(7,8)129(115)89-105)98-56-58-99(59-57-98)104-70-79-120-131(88-104)152(13,14)144-140(120)142-123-51-36-40-55-138(123)158-148(142)143-121-81-72-110(94-133(121)153(15,16)145(143)144)156(146-96(5)46-45-47-97(146)6)109-71-80-119-132(93-109)151(11,12)136-95-124(147-141(139(119)136)122-50-35-39-54-137(122)157-147)101-62-60-100(61-63-101)103-65-74-114-116-76-67-106(90-130(116)150(9,10)128(114)87-103)108-69-78-118-112-49-34-38-53-126(112)155(135(118)92-108,84-43-31-27-23-19-3)85-44-32-28-24-20-4;1-17-21-25-29-41-74-142(75-42-30-26-22-18-2)113-52-37-33-48-99(113)105-68-59-94(82-122(105)142)91-57-66-102-101-65-56-90(78-115(101)137(7,8)116(102)79-91)93-61-71-108-119(81-93)140(13,14)132-128(108)130-111-51-36-40-55-126(111)146-136(130)131-109-73-64-98(86-121(109)141(15,16)133(131)132)144(134-88(5)46-45-47-89(134)6)97-63-72-107-120(85-97)139(11,12)124-87-112(135-129(127(107)124)110-50-35-39-54-125(110)145-135)96-62-70-104-103-67-58-92(80-117(103)138(9,10)118(104)84-96)95-60-69-106-100-49-34-38-53-114(100)143(123(106)83-95,76-43-31-27-23-19-3)77-44-32-28-24-20-4/h33-40,45-81,86-95H,17-32,41-44,82-85H2,1-16H3;33-40,45-73,78-87H,17-32,41-44,74-77H2,1-16H3
InChIKeyRTCQHBYFVUVODQ-UHFFFAOYSA-N
MW3967.64 g/mol
LogP86.83
Rot. Bonds64

About 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine

24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine (PubChem CID 165064541) has the molecular formula C298H294N2O4 and a molecular weight of 3967.64 g/mol. Its IUPAC name is 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine.

Molecular Properties

Compound Name24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine
PubChem CID165064541
Molecular FormulaC298H294N2O4
Molecular Weight3967.64 g/mol
Exact Mass3964.29
IUPAC Name24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine
SMILESCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6c8c(c9oc%10ccccc%10c9c6-7)-c6ccc(N(c7ccc9c(c7)C(C)(C)c7cc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCC)(CCCCCCC)c%13ccccc%13-%14)ccc%11-%12)cc%10)c%10oc%11ccccc%11c%10c7-9)c7c(C)cccc7C)cc6C8(C)C)cc5)ccc3-4)cc21.CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5c7c(c8oc9ccccc9c8c5-6)-c5ccc(N(c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCC)(CCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9oc%10ccccc%10c9c6-8)c6c(C)cccc6C)cc5C7(C)C)ccc3-4)cc21
InChIInChI=1S/C155H151NO2.C143H143NO2/c1-17-21-25-29-41-82-154(83-42-30-26-22-18-2)125-52-37-33-48-111(125)117-77-68-107(91-134(117)154)105-66-75-115-113-73-64-102(86-127(113)149(7,8)129(115)89-105)98-56-58-99(59-57-98)104-70-79-120-131(88-104)152(13,14)144-140(120)142-123-51-36-40-55-138(123)158-148(142)143-121-81-72-110(94-133(121)153(15,16)145(143)144)156(146-96(5)46-45-47-97(146)6)109-71-80-119-132(93-109)151(11,12)136-95-124(147-141(139(119)136)122-50-35-39-54-137(122)157-147)101-62-60-100(61-63-101)103-65-74-114-116-76-67-106(90-130(116)150(9,10)128(114)87-103)108-69-78-118-112-49-34-38-53-126(112)155(135(118)92-108,84-43-31-27-23-19-3)85-44-32-28-24-20-4;1-17-21-25-29-41-74-142(75-42-30-26-22-18-2)113-52-37-33-48-99(113)105-68-59-94(82-122(105)142)91-57-66-102-101-65-56-90(78-115(101)137(7,8)116(102)79-91)93-61-71-108-119(81-93)140(13,14)132-128(108)130-111-51-36-40-55-126(111)146-136(130)131-109-73-64-98(86-121(109)141(15,16)133(131)132)144(134-88(5)46-45-47-89(134)6)97-63-72-107-120(85-97)139(11,12)124-87-112(135-129(127(107)124)110-50-35-39-54-125(110)145-135)96-62-70-104-103-67-58-92(80-117(103)138(9,10)118(104)84-96)95-60-69-106-100-49-34-38-53-114(100)143(123(106)83-95,76-43-31-27-23-19-3)77-44-32-28-24-20-4/h33-40,45-81,86-95H,17-32,41-44,82-85H2,1-16H3;33-40,45-73,78-87H,17-32,41-44,74-77H2,1-16H3
InChIKeyRTCQHBYFVUVODQ-UHFFFAOYSA-N
XLogP86.83
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds64
Heavy Atoms304
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003967.64
LogP ≤ 586.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine?
The IUPAC name of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine (CID 165064541) is 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine.
What is the SMILES notation for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine?
The canonical SMILES for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine is CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6c8c(c9oc%10ccccc%10c9c6-7)-c6ccc(N(c7ccc9c(c7)C(C)(C)c7cc(-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCC)(CCCCCCC)c%13ccccc%13-%14)ccc%11-%12)cc%10)c%10oc%11ccccc%11c%10c7-9)c7c(C)cccc7C)cc6C8(C)C)cc5)ccc3-4)cc21.CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5c7c(c8oc9ccccc9c8c5-6)-c5ccc(N(c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCC)(CCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9oc%10ccccc%10c9c6-8)c6c(C)cccc6C)cc5C7(C)C)ccc3-4)cc21.
What is the InChIKey of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine?
The InChIKey is RTCQHBYFVUVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H151NO2.C143H143NO2/c1-17-21-25-29-41-82-154(83-42-30-26-22-18-2)125-52-37-33-48-111(125)117-77-68-107(91-134(117)154)105-66-75-115-113-73-64-102(86-127(113)149(7,8)129(115)89-105)98-56-58-99(59-57-98)104-70-79-120-131(88-104)152(13,14)144-140(120)142-123-51-36-40-55-138(123)158-148(142)143-121-81-72-110(94-133(121)153(15,16)145(143)144)156(146-96(5)46-45-47-97(146)6)109-71-80-119-132(93-109)151(11,12)136-95-124(147-141(139(119)136)122-50-35-39-54-137(122)157-147)101-62-60-100(61-63-101)103-65-74-114-116-76-67-106(90-130(116)150(9,10)128(114)87-103)108-69-78-118-112-49-34-38-53-126(112)155(135(118)92-108,84-43-31-27-23-19-3)85-44-32-28-24-20-4;1-17-21-25-29-41-74-142(75-42-30-26-22-18-2)113-52-37-33-48-99(113)105-68-59-94(82-122(105)142)91-57-66-102-101-65-56-90(78-115(101)137(7,8)116(102)79-91)93-61-71-108-119(81-93)140(13,14)132-128(108)130-111-51-36-40-55-126(111)146-136(130)131-109-73-64-98(86-121(109)141(15,16)133(131)132)144(134-88(5)46-45-47-89(134)6)97-63-72-107-120(85-97)139(11,12)124-87-112(135-129(127(107)124)110-50-35-39-54-125(110)145-135)96-62-70-104-103-67-58-92(80-117(103)138(9,10)118(104)84-96)95-60-69-106-100-49-34-38-53-114(100)143(123(106)83-95,76-43-31-27-23-19-3)77-44-32-28-24-20-4/h33-40,45-81,86-95H,17-32,41-44,82-85H2,1-16H3;33-40,45-73,78-87H,17-32,41-44,74-77H2,1-16H3.
What are the key properties of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine?
24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine has a molecular weight of 3967.64 g/mol, XLogP of 86.83, 64 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-diheptylfluoren-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine;24-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-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]-N-(2,6-dimethylphenyl)-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(27),23,25-dodecaen-15-amine is sourced from PubChem (CID 165064541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).