10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione

C104H125NO2 — CID 167125459

IUPAC10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione
SMILESCCCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CC(CC)CCCC)(C(CC)CCCCC)c5c-6cc6c7cc8c(cc7n7c9cc%10c(cc9c5c67)C5(C)CCC(C)(CC5)C%10=O)C(=O)C5(C)CCC8(C)CC5)ccc3-4)cc21
InChIInChI=1S/C104H125NO2/c1-15-23-27-30-36-72(22-8)104(71(21-7)35-29-25-17-3)84-38-32-31-37-73(84)76-45-41-69(58-90(76)104)67-40-44-75-74-43-39-66(55-85(74)98(9,10)86(75)56-67)68-42-46-77-79-59-80-78-60-87-81(96(106)101(13)51-47-99(87,11)48-52-101)62-91(78)105-92-63-82-88(100(12)49-53-102(14,54-50-100)97(82)107)61-83(92)93(95(80)105)94(79)103(89(77)57-68,64-65(19-5)33-26-18-4)70(20-6)34-28-24-16-2/h31-32,37-46,55-63,65,70-72H,15-30,33-36,47-54,64H2,1-14H3
InChIKeyGPMHASYYKQIGMC-UHFFFAOYSA-N
MW1421.15 g/mol
LogP29.89
Rot. Bonds27

About 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione

10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione (PubChem CID 167125459) has the molecular formula C104H125NO2 and a molecular weight of 1421.15 g/mol. Its IUPAC name is 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione.

Molecular Properties

Compound Name10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione
PubChem CID167125459
Molecular FormulaC104H125NO2
Molecular Weight1421.15 g/mol
Exact Mass1419.97
IUPAC Name10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione
SMILESCCCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CC(CC)CCCC)(C(CC)CCCCC)c5c-6cc6c7cc8c(cc7n7c9cc%10c(cc9c5c67)C5(C)CCC(C)(CC5)C%10=O)C(=O)C5(C)CCC8(C)CC5)ccc3-4)cc21
InChIInChI=1S/C104H125NO2/c1-15-23-27-30-36-72(22-8)104(71(21-7)35-29-25-17-3)84-38-32-31-37-73(84)76-45-41-69(58-90(76)104)67-40-44-75-74-43-39-66(55-85(74)98(9,10)86(75)56-67)68-42-46-77-79-59-80-78-60-87-81(96(106)101(13)51-47-99(87,11)48-52-101)62-91(78)105-92-63-82-88(100(12)49-53-102(14,54-50-100)97(82)107)61-83(92)93(95(80)105)94(79)103(89(77)57-68,64-65(19-5)33-26-18-4)70(20-6)34-28-24-16-2/h31-32,37-46,55-63,65,70-72H,15-30,33-36,47-54,64H2,1-14H3
InChIKeyGPMHASYYKQIGMC-UHFFFAOYSA-N
XLogP29.89
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.15
LogP ≤ 529.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione with MolForge

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Related Compounds

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
1,18,21,38-tetramethyl-7,27-bis(2,4,6-triethylphenyl)-13,33-diazatridecacyclo[36.2.2.218,21.15,33.113,25.02,36.04,34.010,32.012,30.014,24.016,22.09,43.029,44]hexatetraconta-2(36),3,5(43),6,8,10,12(30),14,16(22),23,25(44),26,28,31,34-pentadecaene-17,37-dione
CID 176762949
26,26-dimethyl-1-azaheptadecacyclo[33.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,58.025,33.027,32.036,57.038,55.039,46.039,53.040,45.047,52]octapentaconta-2,4(21),7,9,11,14,16,18,22,24(58),25(33),27,29,31,34,36,38(55),40,42,44,47,49,51,56-tetracosaene-5,54-dione
CID 167125452
6,9,19,22-tetramethyl-14-azadodecacyclo[28.6.2.26,9.219,22.12,26.03,13.05,11.015,25.017,23.027,37.034,38.014,39]tritetraconta-1,3,5(11),12,15,17(23),24,26(39),27(37),30,32,34(38)-dodecaene-10,18-dione
CID 164528369
1,27,30,40-tetramethyl-7,17-dioxa-35-azatridecacyclo[38.2.2.227,30.15,35.02,38.04,36.06,21.08,20.010,18.011,16.024,34.026,32.023,45]heptatetraconta-2(38),3,5(45),6(21),8(20),9,11,13,15,18,22,24,26(32),33,36-pentadecaene-31,39-dione
CID 167124729
7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione
CID 169156688
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
CID 101417664
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
7-(4-tert-butyl-2,6-diphenylphenyl)-1,28-dimethyl-23-azadecacyclo[26.2.2.15,23.112,16.114,18.02,26.04,24.010,22.011,19.09,33]pentatriaconta-2(26),3,5(33),6,8,10(22),11(19),20,24-nonaen-27-one
CID 164528373
2-hexyldecyl 2-cyano-2-[6-[4-[1-cyano-2-(2-hexyldecoxy)-2-oxoethyl]-2-(9,9-dimethylfluoren-2-yl)thieno[2,3-c]thiophen-6-yl]-2-(9,9-dimethylfluoren-2-yl)thieno[2,3-c]thiophen-4-yl]acetate
CID 122370553

Frequently Asked Questions

What is the IUPAC name of 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione?
The IUPAC name of 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione (CID 167125459) is 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione.
What is the SMILES notation for 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione?
The canonical SMILES for 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione is CCCCCCC(CC)C1(C(CC)CCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CC(CC)CCCC)(C(CC)CCCCC)c5c-6cc6c7cc8c(cc7n7c9cc%10c(cc9c5c67)C5(C)CCC(C)(CC5)C%10=O)C(=O)C5(C)CCC8(C)CC5)ccc3-4)cc21.
What is the InChIKey of 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione?
The InChIKey is GPMHASYYKQIGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H125NO2/c1-15-23-27-30-36-72(22-8)104(71(21-7)35-29-25-17-3)84-38-32-31-37-73(84)76-45-41-69(58-90(76)104)67-40-44-75-74-43-39-66(55-85(74)98(9,10)86(75)56-67)68-42-46-77-79-59-80-78-60-87-81(96(106)101(13)51-47-99(87,11)48-52-101)62-91(78)105-92-63-82-88(100(12)49-53-102(14,54-50-100)97(82)107)61-83(92)93(95(80)105)94(79)103(89(77)57-68,64-65(19-5)33-26-18-4)70(20-6)34-28-24-16-2/h31-32,37-46,55-63,65,70-72H,15-30,33-36,47-54,64H2,1-14H3.
What are the key properties of 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione?
10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione has a molecular weight of 1421.15 g/mol, XLogP of 29.89, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9,9-dimethyl-7-(9-nonan-3-yl-9-octan-3-ylfluoren-2-yl)fluoren-2-yl]-7-(2-ethylhexyl)-1,20,23,33-tetramethyl-7-octan-3-yl-28-azaundecacyclo[31.2.2.220,23.15,28.02,31.04,29.06,14.08,13.017,27.019,25.016,38]tetraconta-2(31),3,5(38),6(14),8(13),9,11,15,17,19(25),26,29-dodecaene-24,32-dione is sourced from PubChem (CID 167125459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).