8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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

C127H134 — CID 156624233

IUPAC8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc5c(c2)C(C)(C)c2cc(-c6ccc7c(c6)C(C)(C)c6cc(CCCCCC)ccc6-7)ccc2-5)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc4c(c2)C(C)(C)c2cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCCCC)ccc5-6)ccc2-4)c2ccccc2c1-3
InChIInChI=1S/C127H134/c1-17-21-25-29-31-39-63-127(64-40-32-30-26-22-18-2)115-77-103-113(125(13,14)117-73-99(87-43-35-37-45-97(87)119(103)117)85-53-61-95-93-59-51-83(69-109(93)123(9,10)111(95)71-85)81-49-57-91-89-55-47-79(41-33-27-23-19-3)65-105(89)121(5,6)107(91)67-81)75-101(115)102-76-114-104(78-116(102)127)120-98-46-38-36-44-88(98)100(74-118(120)126(114,15)16)86-54-62-96-94-60-52-84(70-110(94)124(11,12)112(96)72-86)82-50-58-92-90-56-48-80(42-34-28-24-20-4)66-106(90)122(7,8)108(92)68-82/h35-38,43-62,65-78H,17-34,39-42,63-64H2,1-16H3
InChIKeyOHKVAXAUXLCHOO-UHFFFAOYSA-N
MW1660.47 g/mol
LogP36.51
Rot. Bonds28

About 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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

8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 (PubChem CID 156624233) has the molecular formula C127H134 and a molecular weight of 1660.47 g/mol. Its IUPAC name is 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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.

Molecular Properties

Compound Name8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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
PubChem CID156624233
Molecular FormulaC127H134
Molecular Weight1660.47 g/mol
Exact Mass1659.05
IUPAC Name8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc5c(c2)C(C)(C)c2cc(-c6ccc7c(c6)C(C)(C)c6cc(CCCCCC)ccc6-7)ccc2-5)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc4c(c2)C(C)(C)c2cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCCCC)ccc5-6)ccc2-4)c2ccccc2c1-3
InChIInChI=1S/C127H134/c1-17-21-25-29-31-39-63-127(64-40-32-30-26-22-18-2)115-77-103-113(125(13,14)117-73-99(87-43-35-37-45-97(87)119(103)117)85-53-61-95-93-59-51-83(69-109(93)123(9,10)111(95)71-85)81-49-57-91-89-55-47-79(41-33-27-23-19-3)65-105(89)121(5,6)107(91)67-81)75-101(115)102-76-114-104(78-116(102)127)120-98-46-38-36-44-88(98)100(74-118(120)126(114,15)16)86-54-62-96-94-60-52-84(70-110(94)124(11,12)112(96)72-86)82-50-58-92-90-56-48-80(42-34-28-24-20-4)66-106(90)122(7,8)108(92)68-82/h35-38,43-62,65-78H,17-34,39-42,63-64H2,1-16H3
InChIKeyOHKVAXAUXLCHOO-UHFFFAOYSA-N
XLogP36.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.47
LogP ≤ 536.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 with MolForge

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Related Compounds

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-(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
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[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-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 156624166
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,19,19,33,33-hexamethylnonacyclo[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 156624078
8-[4-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-2,5-dimethylphenyl]-30-[2,5-dimethyl-4-(6,6,12,12-tetraoctylindeno[1,2-b]fluoren-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 168838146
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
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
3-(9,9-dioctylfluoren-2-yl)-7-[4-[11-[4-[7-(9,9-dioctylfluoren-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-14,14,21,21,31,31-hexamethyl-24-octacyclo[15.14.0.03,15.04,13.05,10.018,30.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,18(30),19,22(27),23,25,28-tetradecaenyl]naphthalen-1-yl]dibenzofuran
CID 146593440
3-(9,9-dimethylfluoren-2-yl)-7-[4-[30-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl]phenyl]dibenzothiophene
CID 146593510
8,30-bis[4-[4-[7-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]phenyl]-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 168838191
8,30-bis[2-[2-[7-[7-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenylphenyl]-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 156624221

Frequently Asked Questions

What is the IUPAC name of 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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?
The IUPAC name of 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 156624233) is 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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.
What is the SMILES notation for 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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?
The canonical SMILES for 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc5c(c2)C(C)(C)c2cc(-c6ccc7c(c6)C(C)(C)c6cc(CCCCCC)ccc6-7)ccc2-5)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc4c(c2)C(C)(C)c2cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCCCC)ccc5-6)ccc2-4)c2ccccc2c1-3.
What is the InChIKey of 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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?
The InChIKey is OHKVAXAUXLCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H134/c1-17-21-25-29-31-39-63-127(64-40-32-30-26-22-18-2)115-77-103-113(125(13,14)117-73-99(87-43-35-37-45-97(87)119(103)117)85-53-61-95-93-59-51-83(69-109(93)123(9,10)111(95)71-85)81-49-57-91-89-55-47-79(41-33-27-23-19-3)65-105(89)121(5,6)107(91)67-81)75-101(115)102-76-114-104(78-116(102)127)120-98-46-38-36-44-88(98)100(74-118(120)126(114,15)16)86-54-62-96-94-60-52-84(70-110(94)124(11,12)112(96)72-86)82-50-58-92-90-56-48-80(42-34-28-24-20-4)66-106(90)122(7,8)108(92)68-82/h35-38,43-62,65-78H,17-34,39-42,63-64H2,1-16H3.
What are the key properties of 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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?
8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 has a molecular weight of 1660.47 g/mol, XLogP of 36.51, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-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 is sourced from PubChem (CID 156624233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).