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

C175H178 — CID 156624078

About 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

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 (PubChem CID 156624078) has the molecular formula C175H178 and a molecular weight of 2281.35 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 156624078
• Molecular Formula: C175H178
• Molecular Weight: 2281.35 g/mol
• Exact Mass: 2279.39
• IUPAC Name: 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
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C)c(-c8cc9c(c%10ccccc8%10)-c8cc%10c(cc8C9(C)C)-c8cc9c(cc8C%10(C)C)-c8c(cc(-c%10cc(C)c(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)cc%10C)c%10ccccc8%10)C9(C)C)cc7C)ccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C175H178/c1-23-27-31-35-39-51-83-174(84-52-40-36-32-28-24-2)147-61-49-47-57-123(147)133-79-69-117(97-161(133)174)115-67-77-127-125-73-63-111(91-149(125)167(9,10)151(127)95-115)113-65-75-129-131-81-71-119(99-155(131)169(13,14)153(129)93-113)137-87-109(7)139(89-107(137)5)141-101-163-165(135-59-45-43-55-121(135)141)145-105-157-143(103-159(145)172(163,19)20)144-104-160-146(106-158(144)171(157,17)18)166-136-60-46-44-56-122(136)142(102-164(166)173(160,21)22)140-90-108(6)138(88-110(140)8)120-72-82-132-130-76-66-114(94-154(130)170(15,16)156(132)100-120)112-64-74-126-128-78-68-116(96-152(128)168(11,12)150(126)92-112)118-70-80-134-124-58-48-50-62-148(124)175(162(134)98-118,85-53-41-37-33-29-25-3)86-54-42-38-34-30-26-4/h43-50,55-82,87-106H,23-42,51-54,83-86H2,1-22H3
• InChIKey: CUHKCKJENHZHIU-UHFFFAOYSA-N
• XLogP: 50.24
• TPSA: 0.00 Ų
• Rotatable Bonds: 36
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2281.35
LogP ≤ 5	50.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(C)c(-c8cc9c(c%10ccccc8%10)-c8cc%10c(cc8C9(C)C)-c8cc9c(cc8C%10(C)C)-c8c(cc(-c%10cc(C)c(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(CCCCCCCC)(CCCCCCCC)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)cc%10C)c%10ccccc8%10)C9(C)C)cc7C)ccc5-6)ccc3-4)cc21.

What is the InChIKey of 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?

The InChIKey is CUHKCKJENHZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C175H178/c1-23-27-31-35-39-51-83-174(84-52-40-36-32-28-24-2)147-61-49-47-57-123(147)133-79-69-117(97-161(133)174)115-67-77-127-125-73-63-111(91-149(125)167(9,10)151(127)95-115)113-65-75-129-131-81-71-119(99-155(131)169(13,14)153(129)93-113)137-87-109(7)139(89-107(137)5)141-101-163-165(135-59-45-43-55-121(135)141)145-105-157-143(103-159(145)172(163,19)20)144-104-160-146(106-158(144)171(157,17)18)166-136-60-46-44-56-122(136)142(102-164(166)173(160,21)22)140-90-108(6)138(88-110(140)8)120-72-82-132-130-76-66-114(94-154(130)170(15,16)156(132)100-120)112-64-74-126-128-78-68-116(96-152(128)168(11,12)150(126)92-112)118-70-80-134-124-58-48-50-62-148(124)175(162(134)98-118,85-53-41-37-33-29-25-3)86-54-42-38-34-30-26-4/h43-50,55-82,87-106H,23-42,51-54,83-86H2,1-22H3.

What are the key properties of 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?

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 has a molecular weight of 2281.35 g/mol, XLogP of 50.24, 36 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-[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 is sourced from PubChem (CID 156624078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).