26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane

C59H92 — CID 171769247

IUPAC26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
SMILESCC1CC(C)C2C1C1CCCC3CC4CCC5C6CCCCC6C6C7CC(C8C9C(C%10CCCCC%10)CCCC9C9CCCC(C%10CCCCC%10)C98)CCC7C2(C31)C4C56
InChIInChI=1S/C59H92/c1-33-30-34(2)56-50(33)47-25-11-18-38-31-39-26-28-46-42-19-9-10-20-43(42)54-48-32-37(27-29-49(48)59(56,57(38)47)58(39)55(46)54)51-52-40(35-14-5-3-6-15-35)21-12-23-44(52)45-24-13-22-41(53(45)51)36-16-7-4-8-17-36/h33-58H,3-32H2,1-2H3
InChIKeyAGFBJQJYXSFXJA-UHFFFAOYSA-N
MW801.38 g/mol
LogP15.93
Rot. Bonds3

About 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane

26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane (PubChem CID 171769247) has the molecular formula C59H92 and a molecular weight of 801.38 g/mol. Its IUPAC name is 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane.

Molecular Properties

Compound Name26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
PubChem CID171769247
Molecular FormulaC59H92
Molecular Weight801.38 g/mol
Exact Mass800.72
IUPAC Name26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
SMILESCC1CC(C)C2C1C1CCCC3CC4CCC5C6CCCCC6C6C7CC(C8C9C(C%10CCCCC%10)CCCC9C9CCCC(C%10CCCCC%10)C98)CCC7C2(C31)C4C56
InChIInChI=1S/C59H92/c1-33-30-34(2)56-50(33)47-25-11-18-38-31-39-26-28-46-42-19-9-10-20-43(42)54-48-32-37(27-29-49(48)59(56,57(38)47)58(39)55(46)54)51-52-40(35-14-5-3-6-15-35)21-12-23-44(52)45-24-13-22-41(53(45)51)36-16-7-4-8-17-36/h33-58H,3-32H2,1-2H3
InChIKeyAGFBJQJYXSFXJA-UHFFFAOYSA-N
XLogP15.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.38
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane with MolForge

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Related Compounds

26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
CID 170935482
(6S)-6,7-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 91056108
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 164599475
11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
CID 167402176
7'-tert-butyl-2,3,4-tricyclohexyl-22',23'-dimethylspiro[cyclobutane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosane]
CID 168816999
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-10-[6-(1,2,3,4,4a,4b,5,6,7,8,8a,8b-dodecahydrobiphenylen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144809758
CID 169428027
CID 169428027
2,4-dicyclohexyl-5-methyl-7-spiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosane]-3-ylazepane
CID 126712782
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160

Frequently Asked Questions

What is the IUPAC name of 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The IUPAC name of 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane (CID 171769247) is 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane.
What is the SMILES notation for 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The canonical SMILES for 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane is CC1CC(C)C2C1C1CCCC3CC4CCC5C6CCCCC6C6C7CC(C8C9C(C%10CCCCC%10)CCCC9C9CCCC(C%10CCCCC%10)C98)CCC7C2(C31)C4C56.
What is the InChIKey of 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The InChIKey is AGFBJQJYXSFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H92/c1-33-30-34(2)56-50(33)47-25-11-18-38-31-39-26-28-46-42-19-9-10-20-43(42)54-48-32-37(27-29-49(48)59(56,57(38)47)58(39)55(46)54)51-52-40(35-14-5-3-6-15-35)21-12-23-44(52)45-24-13-22-41(53(45)51)36-16-7-4-8-17-36/h33-58H,3-32H2,1-2H3.
What are the key properties of 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane has a molecular weight of 801.38 g/mol, XLogP of 15.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane is sourced from PubChem (CID 171769247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).