8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene

C198H270 — CID 102210397

IUPAC8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc4c(cc2-3)-c2c(c3c(c5c2Cc2cc6c(cc2-5)-c2c5c(c7c(c2C6(CCCCCC)CCCCCC)-c2ccccc2C7(CCCCCC)CCCCCC)-c2ccccc2C5(CCCCCC)CCCCCC)Cc2cc5c(cc2-3)-c2c3c(c6c(c2C5(CCCCCC)CCCCCC)-c2ccccc2C6(CCCCCC)CCCCCC)-c2ccccc2C3(CCCCCC)CCCCCC)C4)C(CCCCCC)(CCCCCC)c2ccccc2-1
InChIInChI=1S/C198H270/c1-19-37-55-85-115-190(116-86-56-38-20-2)160-109-79-76-106-148(160)175-181(190)172-145-103-73-82-112-163(145)193(121-91-61-43-25-7,122-92-62-44-26-8)184(172)178-154-139-151-142(136-166(154)196(187(175)178,127-97-67-49-31-13)128-98-68-50-32-14)133-157-169(151)158-134-143-137-167-156(180-186-174(147-105-75-84-114-165(147)195(186,125-95-65-47-29-11)126-96-66-48-30-12)183-177(189(180)197(167,129-99-69-51-33-15)130-100-70-52-34-16)150-108-78-81-111-162(150)192(183,119-89-59-41-23-5)120-90-60-42-24-6)141-153(143)171(158)159-135-144-138-168-155(140-152(144)170(157)159)179-185-173(146-104-74-83-113-164(146)194(185,123-93-63-45-27-9)124-94-64-46-28-10)182-176(188(179)198(168,131-101-71-53-35-17)132-102-72-54-36-18)149-107-77-80-110-161(149)191(182,117-87-57-39-21-3)118-88-58-40-22-4/h73-84,103-114,136-141H,19-72,85-102,115-135H2,1-18H3
InChIKeyPIOBPPWGDVASCO-UHFFFAOYSA-N
MW2650.34 g/mol
LogP62.27
Rot. Bonds90

About 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene

8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene (PubChem CID 102210397) has the molecular formula C198H270 and a molecular weight of 2650.34 g/mol. Its IUPAC name is 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene.

Molecular Properties

Compound Name8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene
PubChem CID102210397
Molecular FormulaC198H270
Molecular Weight2650.34 g/mol
Exact Mass2648.11
IUPAC Name8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc4c(cc2-3)-c2c(c3c(c5c2Cc2cc6c(cc2-5)-c2c5c(c7c(c2C6(CCCCCC)CCCCCC)-c2ccccc2C7(CCCCCC)CCCCCC)-c2ccccc2C5(CCCCCC)CCCCCC)Cc2cc5c(cc2-3)-c2c3c(c6c(c2C5(CCCCCC)CCCCCC)-c2ccccc2C6(CCCCCC)CCCCCC)-c2ccccc2C3(CCCCCC)CCCCCC)C4)C(CCCCCC)(CCCCCC)c2ccccc2-1
InChIInChI=1S/C198H270/c1-19-37-55-85-115-190(116-86-56-38-20-2)160-109-79-76-106-148(160)175-181(190)172-145-103-73-82-112-163(145)193(121-91-61-43-25-7,122-92-62-44-26-8)184(172)178-154-139-151-142(136-166(154)196(187(175)178,127-97-67-49-31-13)128-98-68-50-32-14)133-157-169(151)158-134-143-137-167-156(180-186-174(147-105-75-84-114-165(147)195(186,125-95-65-47-29-11)126-96-66-48-30-12)183-177(189(180)197(167,129-99-69-51-33-15)130-100-70-52-34-16)150-108-78-81-111-162(150)192(183,119-89-59-41-23-5)120-90-60-42-24-6)141-153(143)171(158)159-135-144-138-168-155(140-152(144)170(157)159)179-185-173(146-104-74-83-113-164(146)194(185,123-93-63-45-27-9)124-94-64-46-28-10)182-176(188(179)198(168,131-101-71-53-35-17)132-102-72-54-36-18)149-107-77-80-110-161(149)191(182,117-87-57-39-21-3)118-88-58-40-22-4/h73-84,103-114,136-141H,19-72,85-102,115-135H2,1-18H3
InChIKeyPIOBPPWGDVASCO-UHFFFAOYSA-N
XLogP62.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds90
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002650.34
LogP ≤ 562.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene with MolForge

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Related Compounds

7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
9,9,18,18,27,27-hexahexyl-4,15,23-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 102513210
9,9,18,18,27,27-hexahexyl-4,15,23-tris[4-(4-phenylphenyl)phenyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 102513212
5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene
CID 166021992
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
14-(9,9,18,18,27,27-hexahexyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaenyl)-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 102423543
3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 122376268
2-methyl-9,9-di(tetradecyl)-3H-cyclopenta[b]fluorene
CID 86694795
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
CID 71663652

Frequently Asked Questions

What is the IUPAC name of 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene?
The IUPAC name of 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene (CID 102210397) is 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene.
What is the SMILES notation for 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene?
The canonical SMILES for 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene is CCCCCCC1(CCCCCC)c2ccccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc4c(cc2-3)-c2c(c3c(c5c2Cc2cc6c(cc2-5)-c2c5c(c7c(c2C6(CCCCCC)CCCCCC)-c2ccccc2C7(CCCCCC)CCCCCC)-c2ccccc2C5(CCCCCC)CCCCCC)Cc2cc5c(cc2-3)-c2c3c(c6c(c2C5(CCCCCC)CCCCCC)-c2ccccc2C6(CCCCCC)CCCCCC)-c2ccccc2C3(CCCCCC)CCCCCC)C4)C(CCCCCC)(CCCCCC)c2ccccc2-1.
What is the InChIKey of 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene?
The InChIKey is PIOBPPWGDVASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C198H270/c1-19-37-55-85-115-190(116-86-56-38-20-2)160-109-79-76-106-148(160)175-181(190)172-145-103-73-82-112-163(145)193(121-91-61-43-25-7,122-92-62-44-26-8)184(172)178-154-139-151-142(136-166(154)196(187(175)178,127-97-67-49-31-13)128-98-68-50-32-14)133-157-169(151)158-134-143-137-167-156(180-186-174(147-105-75-84-114-165(147)195(186,125-95-65-47-29-11)126-96-66-48-30-12)183-177(189(180)197(167,129-99-69-51-33-15)130-100-70-52-34-16)150-108-78-81-111-162(150)192(183,119-89-59-41-23-5)120-90-60-42-24-6)141-153(143)171(158)159-135-144-138-168-155(140-152(144)170(157)159)179-185-173(146-104-74-83-113-164(146)194(185,123-93-63-45-27-9)124-94-64-46-28-10)182-176(188(179)198(168,131-101-71-53-35-17)132-102-72-54-36-18)149-107-77-80-110-161(149)191(182,117-87-57-39-21-3)118-88-58-40-22-4/h73-84,103-114,136-141H,19-72,85-102,115-135H2,1-18H3.
What are the key properties of 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene?
8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene has a molecular weight of 2650.34 g/mol, XLogP of 62.27, 90 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene is sourced from PubChem (CID 102210397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).