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

C229H222 — CID 156624221

About 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

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 (PubChem CID 156624221) has the molecular formula C229H222 and a molecular weight of 2974.29 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 156624221
• Molecular Formula: C229H222
• Molecular Weight: 2974.29 g/mol
• Exact Mass: 2971.74
• IUPAC Name: 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
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)ccc3-c3cc4c(c5ccccc35)-c3cc5c(cc3C4(C)C)-c3cc4c(cc3C5(CCCCCCCC)CCCCCCCC)-c3c(cc(-c5ccc(-c6ccccc6)cc5-c5ccccc5-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc7-8)ccc5-6)c5ccccc35)C4(C)C)cc21
• InChI: InChI=1S/C229H222/c1-15-21-27-33-39-75-129-225(130-76-40-34-28-22-16-2)209-141-161(157-107-119-181-183-121-109-159(139-205(183)221(7,8)203(181)137-157)163-113-125-189-179-99-71-73-103-201(179)228(215(189)143-163,167-85-55-47-56-86-167)168-87-57-48-58-88-168)111-123-185(209)187-127-115-165(145-211(187)225)171-93-63-65-95-173(171)193-135-155(153-81-51-45-52-82-153)105-117-177(193)195-147-217-219(191-101-69-67-97-175(191)195)199-151-213-197(149-207(199)223(217,11)12)198-150-208-200(152-214(198)227(213,133-79-43-37-31-25-19-5)134-80-44-38-32-26-20-6)220-192-102-70-68-98-176(192)196(148-218(220)224(208,13)14)178-118-106-156(154-83-53-46-54-84-154)136-194(178)174-96-66-64-94-172(174)166-116-128-188-186-124-112-162(142-210(186)226(212(188)146-166,131-77-41-35-29-23-17-3)132-78-42-36-30-24-18-4)158-108-120-182-184-122-110-160(140-206(184)222(9,10)204(182)138-158)164-114-126-190-180-100-72-74-104-202(180)229(216(190)144-164,169-89-59-49-60-90-169)170-91-61-50-62-92-170/h45-74,81-128,135-152H,15-44,75-80,129-134H2,1-14H3
• InChIKey: FYCZTXJMBKXGKU-UHFFFAOYSA-N
• XLogP: 65.25
• TPSA: 0.00 Ų
• Rotatable Bonds: 58
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2974.29
LogP ≤ 5	65.25
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[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)ccc3-c3cc4c(c5ccccc35)-c3cc5c(cc3C4(C)C)-c3cc4c(cc3C5(CCCCCCCC)CCCCCCCC)-c3c(cc(-c5ccc(-c6ccccc6)cc5-c5ccccc5-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)ccc7-8)ccc5-6)c5ccccc35)C4(C)C)cc21.

What is the InChIKey of 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?

The InChIKey is FYCZTXJMBKXGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C229H222/c1-15-21-27-33-39-75-129-225(130-76-40-34-28-22-16-2)209-141-161(157-107-119-181-183-121-109-159(139-205(183)221(7,8)203(181)137-157)163-113-125-189-179-99-71-73-103-201(179)228(215(189)143-163,167-85-55-47-56-86-167)168-87-57-48-58-88-168)111-123-185(209)187-127-115-165(145-211(187)225)171-93-63-65-95-173(171)193-135-155(153-81-51-45-52-82-153)105-117-177(193)195-147-217-219(191-101-69-67-97-175(191)195)199-151-213-197(149-207(199)223(217,11)12)198-150-208-200(152-214(198)227(213,133-79-43-37-31-25-19-5)134-80-44-38-32-26-20-6)220-192-102-70-68-98-176(192)196(148-218(220)224(208,13)14)178-118-106-156(154-83-53-46-54-84-154)136-194(178)174-96-66-64-94-172(174)166-116-128-188-186-124-112-162(142-210(186)226(212(188)146-166,131-77-41-35-29-23-17-3)132-78-42-36-30-24-18-4)158-108-120-182-184-122-110-160(140-206(184)222(9,10)204(182)138-158)164-114-126-190-180-100-72-74-104-202(180)229(216(190)144-164,169-89-59-49-60-90-169)170-91-61-50-62-92-170/h45-74,81-128,135-152H,15-44,75-80,129-134H2,1-14H3.

What are the key properties of 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?

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 has a molecular weight of 2974.29 g/mol, XLogP of 65.25, 58 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 156624221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).