2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene

C469H426 — CID 162186424

IUPAC2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc21.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)cc1-2.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2
InChIInChI=1S/C143H126.C131H138.C109H94.2C43H34/c1-81(2)65-67-143(68-66-82(3)4)129-79-109(89-55-63-101-97-59-51-85(71-123(97)141(17,18)127(101)75-89)93-39-31-47-119-133(93)105-35-23-27-43-115(105)137(119,9)10)107(87-53-61-99-95-57-49-83(69-121(95)139(13,14)125(99)73-87)91-37-29-45-117-131(91)103-33-21-25-41-113(103)135(117,5)6)77-111(129)112-78-108(88-54-62-100-96-58-50-84(70-122(96)140(15,16)126(100)74-88)92-38-30-46-118-132(92)104-34-22-26-42-114(104)136(118,7)8)110(80-130(112)143)90-56-64-102-98-60-52-86(72-124(98)142(19,20)128(102)76-90)94-40-32-48-120-134(94)106-36-24-28-44-116(106)138(120,11)12;1-73(2)51-53-131(54-52-74(3)4)115-56-76(6)75(5)55-103(115)104-71-99(81-35-45-93-89-41-31-77(57-105(89)125(19,20)109(93)61-81)79-33-43-91-95-47-37-83(63-111(95)127(23,24)107(91)59-79)101-65-87(123(13,14)15)69-117-119(101)97-49-39-85(121(7,8)9)67-113(97)129(117,27)28)100(72-116(104)131)82-36-46-94-90-42-32-78(58-106(90)126(21,22)110(94)62-82)80-34-44-92-96-48-38-84(64-112(96)128(25,26)108(92)60-80)102-66-88(124(16,17)18)70-118-120(102)98-50-40-86(122(10,11)12)68-114(98)130(118,29)30;1-61(2)43-45-109(46-44-62(3)4)103-48-64(6)63(5)47-91(103)94-55-85(69-35-41-81-79-37-31-65(49-95(79)105(7,8)99(81)53-69)67-33-39-83-92-56-87-75-27-19-15-23-71(75)73-25-17-21-29-77(73)89(87)59-101(92)107(11,12)97(83)51-67)86(58-104(94)109)70-36-42-82-80-38-32-66(50-96(80)106(9,10)100(82)54-70)68-34-40-84-93-57-88-76-28-20-16-24-72(76)74-26-18-22-30-78(74)90(88)60-102(93)108(13,14)98(84)52-68;2*1-25-14-17-32-33-18-15-26(21-39(33)42(2,3)38(32)20-25)27-16-19-34-37-23-35-30-12-8-6-10-28(30)29-11-7-9-13-31(29)36(35)24-41(37)43(4,5)40(34)22-27/h21-64,69-82H,65-68H2,1-20H3;31-50,55-74H,51-54H2,1-30H3;15-42,47-62H,43-46H2,1-14H3;2*6-24H,1-5H3
InChIKeyZPSBAVFJHOGPKV-UHFFFAOYSA-N
MW6062.57 g/mol
LogP128.81
Rot. Bonds38

About 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene

2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene (PubChem CID 162186424) has the molecular formula C469H426 and a molecular weight of 6062.57 g/mol. Its IUPAC name is 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene.

Molecular Properties

Compound Name2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
PubChem CID162186424
Molecular FormulaC469H426
Molecular Weight6062.57 g/mol
Exact Mass6057.33
IUPAC Name2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc21.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)cc1-2.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2
InChIInChI=1S/C143H126.C131H138.C109H94.2C43H34/c1-81(2)65-67-143(68-66-82(3)4)129-79-109(89-55-63-101-97-59-51-85(71-123(97)141(17,18)127(101)75-89)93-39-31-47-119-133(93)105-35-23-27-43-115(105)137(119,9)10)107(87-53-61-99-95-57-49-83(69-121(95)139(13,14)125(99)73-87)91-37-29-45-117-131(91)103-33-21-25-41-113(103)135(117,5)6)77-111(129)112-78-108(88-54-62-100-96-58-50-84(70-122(96)140(15,16)126(100)74-88)92-38-30-46-118-132(92)104-34-22-26-42-114(104)136(118,7)8)110(80-130(112)143)90-56-64-102-98-60-52-86(72-124(98)142(19,20)128(102)76-90)94-40-32-48-120-134(94)106-36-24-28-44-116(106)138(120,11)12;1-73(2)51-53-131(54-52-74(3)4)115-56-76(6)75(5)55-103(115)104-71-99(81-35-45-93-89-41-31-77(57-105(89)125(19,20)109(93)61-81)79-33-43-91-95-47-37-83(63-111(95)127(23,24)107(91)59-79)101-65-87(123(13,14)15)69-117-119(101)97-49-39-85(121(7,8)9)67-113(97)129(117,27)28)100(72-116(104)131)82-36-46-94-90-42-32-78(58-106(90)126(21,22)110(94)62-82)80-34-44-92-96-48-38-84(64-112(96)128(25,26)108(92)60-80)102-66-88(124(16,17)18)70-118-120(102)98-50-40-86(122(10,11)12)68-114(98)130(118,29)30;1-61(2)43-45-109(46-44-62(3)4)103-48-64(6)63(5)47-91(103)94-55-85(69-35-41-81-79-37-31-65(49-95(79)105(7,8)99(81)53-69)67-33-39-83-92-56-87-75-27-19-15-23-71(75)73-25-17-21-29-77(73)89(87)59-101(92)107(11,12)97(83)51-67)86(58-104(94)109)70-36-42-82-80-38-32-66(50-96(80)106(9,10)100(82)54-70)68-34-40-84-93-57-88-76-28-20-16-24-72(76)74-26-18-22-30-78(74)90(88)60-102(93)108(13,14)98(84)52-68;2*1-25-14-17-32-33-18-15-26(21-39(33)42(2,3)38(32)20-25)27-16-19-34-37-23-35-30-12-8-6-10-28(30)29-11-7-9-13-31(29)36(35)24-41(37)43(4,5)40(34)22-27/h21-64,69-82H,65-68H2,1-20H3;31-50,55-74H,51-54H2,1-30H3;15-42,47-62H,43-46H2,1-14H3;2*6-24H,1-5H3
InChIKeyZPSBAVFJHOGPKV-UHFFFAOYSA-N
XLogP128.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms469
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006062.57
LogP ≤ 5128.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene with MolForge

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Related Compounds

2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 59245631
3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
CID 59245629
1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
CID 159148611
9,9-dimethyl-N,N-diphenyl-7-[3,6,7-tris(9,9-dimethylfluoren-2-yl)-9,9-bis(3-methylbutyl)fluoren-2-yl]fluoren-2-amine
CID 89223325
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511707
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
3-[6-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454013
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The IUPAC name of 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene (CID 162186424) is 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene.
What is the SMILES notation for 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The canonical SMILES for 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene is CC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3-4)cc21.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C(C)(C)C)cc8c7-c7ccc(C(C)(C)C)cc7C8(C)C)ccc5-6)ccc3-4)cc1-2.Cc1cc2c(cc1C)C(CCC(C)C)(CCC(C)C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c8ccccc8c8ccccc8c7cc5-6)ccc3-4)cc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3-4)ccc1-2.
What is the InChIKey of 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The InChIKey is ZPSBAVFJHOGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H126.C131H138.C109H94.2C43H34/c1-81(2)65-67-143(68-66-82(3)4)129-79-109(89-55-63-101-97-59-51-85(71-123(97)141(17,18)127(101)75-89)93-39-31-47-119-133(93)105-35-23-27-43-115(105)137(119,9)10)107(87-53-61-99-95-57-49-83(69-121(95)139(13,14)125(99)73-87)91-37-29-45-117-131(91)103-33-21-25-41-113(103)135(117,5)6)77-111(129)112-78-108(88-54-62-100-96-58-50-84(70-122(96)140(15,16)126(100)74-88)92-38-30-46-118-132(92)104-34-22-26-42-114(104)136(118,7)8)110(80-130(112)143)90-56-64-102-98-60-52-86(72-124(98)142(19,20)128(102)76-90)94-40-32-48-120-134(94)106-36-24-28-44-116(106)138(120,11)12;1-73(2)51-53-131(54-52-74(3)4)115-56-76(6)75(5)55-103(115)104-71-99(81-35-45-93-89-41-31-77(57-105(89)125(19,20)109(93)61-81)79-33-43-91-95-47-37-83(63-111(95)127(23,24)107(91)59-79)101-65-87(123(13,14)15)69-117-119(101)97-49-39-85(121(7,8)9)67-113(97)129(117,27)28)100(72-116(104)131)82-36-46-94-90-42-32-78(58-106(90)126(21,22)110(94)62-82)80-34-44-92-96-48-38-84(64-112(96)128(25,26)108(92)60-80)102-66-88(124(16,17)18)70-118-120(102)98-50-40-86(122(10,11)12)68-114(98)130(118,29)30;1-61(2)43-45-109(46-44-62(3)4)103-48-64(6)63(5)47-91(103)94-55-85(69-35-41-81-79-37-31-65(49-95(79)105(7,8)99(81)53-69)67-33-39-83-92-56-87-75-27-19-15-23-71(75)73-25-17-21-29-77(73)89(87)59-101(92)107(11,12)97(83)51-67)86(58-104(94)109)70-36-42-82-80-38-32-66(50-96(80)106(9,10)100(82)54-70)68-34-40-84-93-57-88-76-28-20-16-24-72(76)74-26-18-22-30-78(74)90(88)60-102(93)108(13,14)98(84)52-68;2*1-25-14-17-32-33-18-15-26(21-39(33)42(2,3)38(32)20-25)27-16-19-34-37-23-35-30-12-8-6-10-28(30)29-11-7-9-13-31(29)36(35)24-41(37)43(4,5)40(34)22-27/h21-64,69-82H,65-68H2,1-20H3;31-50,55-74H,51-54H2,1-30H3;15-42,47-62H,43-46H2,1-14H3;2*6-24H,1-5H3.
What are the key properties of 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene has a molecular weight of 6062.57 g/mol, XLogP of 128.81, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene is sourced from PubChem (CID 162186424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).