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

C155H174 — CID 156624104

About 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

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 (PubChem CID 156624104) has the molecular formula C155H174 and a molecular weight of 2037.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 156624104
• Molecular Formula: C155H174
• Molecular Weight: 2037.10 g/mol
• Exact Mass: 2035.36
• IUPAC Name: 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
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4cc5c(c6ccccc46)-c4cc6c(cc4C5(C)C)-c4cc5c(cc4C6(CCCCCCCC)CCCCCCCC)-c4c(cc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)c6ccccc46)C5(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C155H174/c1-15-21-27-33-39-53-87-153(88-54-40-34-28-22-16-2)139-95-109(75-83-121(139)123-85-79-113(97-141(123)153)111-77-81-119-117-61-49-51-65-133(117)149(7,8)135(119)93-111)105-67-71-107(72-68-105)127-99-145-147(125-63-47-45-59-115(125)127)131-103-143-129(101-137(131)151(145,11)12)130-102-138-132(104-144(130)155(143,91-57-43-37-31-25-19-5)92-58-44-38-32-26-20-6)148-126-64-48-46-60-116(126)128(100-146(148)152(138,13)14)108-73-69-106(70-74-108)110-76-84-122-124-86-80-114(112-78-82-120-118-62-50-52-66-134(118)150(9,10)136(120)94-112)98-142(124)154(140(122)96-110,89-55-41-35-29-23-17-3)90-56-42-36-30-24-18-4/h45-52,59-86,93-104H,15-44,53-58,87-92H2,1-14H3
• InChIKey: QHWLWDJUJRMCGP-UHFFFAOYSA-N
• XLogP: 46.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 48
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2037.10
LogP ≤ 5	46.52
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-(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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4cc5c(c6ccccc46)-c4cc6c(cc4C5(C)C)-c4cc5c(cc4C6(CCCCCCCC)CCCCCCCC)-c4c(cc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)c6ccccc46)C5(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.

What is the InChIKey of 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?

The InChIKey is QHWLWDJUJRMCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H174/c1-15-21-27-33-39-53-87-153(88-54-40-34-28-22-16-2)139-95-109(75-83-121(139)123-85-79-113(97-141(123)153)111-77-81-119-117-61-49-51-65-133(117)149(7,8)135(119)93-111)105-67-71-107(72-68-105)127-99-145-147(125-63-47-45-59-115(125)127)131-103-143-129(101-137(131)151(145,11)12)130-102-138-132(104-144(130)155(143,91-57-43-37-31-25-19-5)92-58-44-38-32-26-20-6)148-126-64-48-46-60-116(126)128(100-146(148)152(138,13)14)108-73-69-106(70-74-108)110-76-84-122-124-86-80-114(112-78-82-120-118-62-50-52-66-134(118)150(9,10)136(120)94-112)98-142(124)154(140(122)96-110,89-55-41-35-29-23-17-3)90-56-42-36-30-24-18-4/h45-52,59-86,93-104H,15-44,53-58,87-92H2,1-14H3.

What are the key properties of 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?

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 has a molecular weight of 2037.10 g/mol, XLogP of 46.52, 48 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-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 is sourced from PubChem (CID 156624104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).