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

C162H140 — CID 168838191

About 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

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 (PubChem CID 168838191) has the molecular formula C162H140 and a molecular weight of 2086.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 168838191
• Molecular Formula: C162H140
• Molecular Weight: 2086.90 g/mol
• Exact Mass: 2085.10
• IUPAC Name: 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
• SMILES: CCCCCCCCC1(CCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(-c5cc(C)c(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)ccc6-7)cc5C)cc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(-c4cc(C)c(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)ccc5-6)cc4C)cc2)c2ccccc2c1-3
• InChI: InChI=1S/C162H140/c1-15-17-19-21-23-45-83-160(82-44-22-20-18-16-2)148-98-138-146(158(11,12)152-94-134(118-54-36-38-58-128(118)154(138)152)106-66-62-104(63-67-106)130-84-102(5)132(86-100(130)3)112-74-80-124-122-76-70-108(88-142(122)156(7,8)144(124)92-112)110-72-78-126-120-56-40-42-60-140(120)161(150(126)90-110,114-46-28-24-29-47-114)115-48-30-25-31-49-115)96-136(148)137-97-147-139(99-149(137)160)155-129-59-39-37-55-119(129)135(95-153(155)159(147,13)14)107-68-64-105(65-69-107)131-85-103(6)133(87-101(131)4)113-75-81-125-123-77-71-109(89-143(123)157(9,10)145(125)93-113)111-73-79-127-121-57-41-43-61-141(121)162(151(127)91-111,116-50-32-26-33-51-116)117-52-34-27-35-53-117/h24-43,46-81,84-99H,15-23,44-45,82-83H2,1-14H3
• InChIKey: ZZFGTXYXENMGOW-UHFFFAOYSA-N
• XLogP: 43.89
• TPSA: 0.00 Ų
• Rotatable Bonds: 25
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2086.90
LogP ≤ 5	43.89
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-[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccc(-c5cc(C)c(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)ccc6-7)cc5C)cc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccc(-c4cc(C)c(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)ccc5-6)cc4C)cc2)c2ccccc2c1-3.

What is the InChIKey of 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?

The InChIKey is ZZFGTXYXENMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H140/c1-15-17-19-21-23-45-83-160(82-44-22-20-18-16-2)148-98-138-146(158(11,12)152-94-134(118-54-36-38-58-128(118)154(138)152)106-66-62-104(63-67-106)130-84-102(5)132(86-100(130)3)112-74-80-124-122-76-70-108(88-142(122)156(7,8)144(124)92-112)110-72-78-126-120-56-40-42-60-140(120)161(150(126)90-110,114-46-28-24-29-47-114)115-48-30-25-31-49-115)96-136(148)137-97-147-139(99-149(137)160)155-129-59-39-37-55-119(129)135(95-153(155)159(147,13)14)107-68-64-105(65-69-107)131-85-103(6)133(87-101(131)4)113-75-81-125-123-77-71-109(89-143(123)157(9,10)145(125)93-113)111-73-79-127-121-57-41-43-61-141(121)162(151(127)91-111,116-50-32-26-33-51-116)117-52-34-27-35-53-117/h24-43,46-81,84-99H,15-23,44-45,82-83H2,1-14H3.

What are the key properties of 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?

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 has a molecular weight of 2086.90 g/mol, XLogP of 43.89, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 168838191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).