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

C128H120 — CID 168838247

IUPAC8,30-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
SMILESCCCCCCCCC1(CCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)c(C)c2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c(C)c2)c2ccccc2c1-3
InChIInChI=1S/C128H120/c1-17-19-21-23-25-35-61-128(60-34-24-22-20-18-2)116-74-104-114(126(13,14)118-70-100(88-36-26-28-40-98(88)120(104)118)82-48-52-86(76(3)62-82)84-50-58-96-94-56-46-80(66-110(94)124(9,10)112(96)68-84)78-44-54-92-90-38-30-32-42-106(90)122(5,6)108(92)64-78)72-102(116)103-73-115-105(75-117(103)128)121-99-41-29-27-37-89(99)101(71-119(121)127(115,15)16)83-49-53-87(77(4)63-83)85-51-59-97-95-57-47-81(67-111(95)125(11,12)113(97)69-85)79-45-55-93-91-39-31-33-43-107(91)123(7,8)109(93)65-79/h26-33,36-59,62-75H,17-25,34-35,60-61H2,1-16H3
InChIKeyDFMSRCHPMUDIFD-UHFFFAOYSA-N
MW1658.37 g/mol
LogP35.83
Rot. Bonds19

About 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

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 (PubChem CID 168838247) has the molecular formula C128H120 and a molecular weight of 1658.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8,30-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
PubChem CID168838247
Molecular FormulaC128H120
Molecular Weight1658.37 g/mol
Exact Mass1656.94
IUPAC Name8,30-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
SMILESCCCCCCCCC1(CCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)c(C)c2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c(C)c2)c2ccccc2c1-3
InChIInChI=1S/C128H120/c1-17-19-21-23-25-35-61-128(60-34-24-22-20-18-2)116-74-104-114(126(13,14)118-70-100(88-36-26-28-40-98(88)120(104)118)82-48-52-86(76(3)62-82)84-50-58-96-94-56-46-80(66-110(94)124(9,10)112(96)68-84)78-44-54-92-90-38-30-32-42-106(90)122(5,6)108(92)64-78)72-102(116)103-73-115-105(75-117(103)128)121-99-41-29-27-37-89(99)101(71-119(121)127(115,15)16)83-49-53-87(77(4)63-83)85-51-59-97-95-57-47-81(67-111(95)125(11,12)113(97)69-85)79-45-55-93-91-39-31-33-43-107(91)123(7,8)109(93)65-79/h26-33,36-59,62-75H,17-25,34-35,60-61H2,1-16H3
InChIKeyDFMSRCHPMUDIFD-UHFFFAOYSA-N
XLogP35.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001658.37
LogP ≤ 535.83
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[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 with MolForge

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Related Compounds

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
8,30-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-(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-[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[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-(7,7-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
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
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
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
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
N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[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 155323944
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)c(C)c2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c(C)c2)c2ccccc2c1-3.
What is the InChIKey of 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?
The InChIKey is DFMSRCHPMUDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H120/c1-17-19-21-23-25-35-61-128(60-34-24-22-20-18-2)116-74-104-114(126(13,14)118-70-100(88-36-26-28-40-98(88)120(104)118)82-48-52-86(76(3)62-82)84-50-58-96-94-56-46-80(66-110(94)124(9,10)112(96)68-84)78-44-54-92-90-38-30-32-42-106(90)122(5,6)108(92)64-78)72-102(116)103-73-115-105(75-117(103)128)121-99-41-29-27-37-89(99)101(71-119(121)127(115,15)16)83-49-53-87(77(4)63-83)85-51-59-97-95-57-47-81(67-111(95)125(11,12)113(97)69-85)79-45-55-93-91-39-31-33-43-107(91)123(7,8)109(93)65-79/h26-33,36-59,62-75H,17-25,34-35,60-61H2,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1658.37 g/mol, XLogP of 35.83, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168838247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).