nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane

C54H72 — CID 101083105

IUPACnonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
SMILESC1CC2CC3CCC4CC5CCC6CC7CCC8CC9CCC%10CC%11CCC%12CC1C1C2C2C3C4C3C5C6C4C7C8C5C9C%10C6C%11C%12C1C1C2C3C4C5C61
InChIInChI=1S/C54H72/c1-2-20-14-22-5-6-24-16-26-9-11-29-18-30-12-10-28-17-27-8-7-25-15-23-4-3-21-13-19(1)31-32(20)44-34(22)36(24)46-39(26)41(29)48-42(30)40(28)47-38(27)37(25)45-35(23)33(21)43(31)49-50(44)52(46)54(48)53(47)51(45)49/h19-54H,1-18H2
InChIKeyCLGLDMFSEXCKKP-UHFFFAOYSA-N
MW721.17 g/mol
LogP11.45
Rot. Bonds

About nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane

nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane (PubChem CID 101083105) has the molecular formula C54H72 and a molecular weight of 721.17 g/mol. Its IUPAC name is nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane.

Molecular Properties

Compound Namenonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
PubChem CID101083105
Molecular FormulaC54H72
Molecular Weight721.17 g/mol
Exact Mass720.56
IUPAC Namenonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
SMILESC1CC2CC3CCC4CC5CCC6CC7CCC8CC9CCC%10CC%11CCC%12CC1C1C2C2C3C4C3C5C6C4C7C8C5C9C%10C6C%11C%12C1C1C2C3C4C5C61
InChIInChI=1S/C54H72/c1-2-20-14-22-5-6-24-16-26-9-11-29-18-30-12-10-28-17-27-8-7-25-15-23-4-3-21-13-19(1)31-32(20)44-34(22)36(24)46-39(26)41(29)48-42(30)40(28)47-38(27)37(25)45-35(23)33(21)43(31)49-50(44)52(46)54(48)53(47)51(45)49/h19-54H,1-18H2
InChIKeyCLGLDMFSEXCKKP-UHFFFAOYSA-N
XLogP11.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.17
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane with MolForge

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Related Compounds

(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
tricyclo[4.3.1.12,5]undecane
CID 13070377
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
(2S,3S,6R,7R,9R,10R,13S,14R)-15,16-diazahexacyclo[6.6.2.13,6.110,13.02,7.09,14]octadec-15-ene
CID 11869187
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023

Frequently Asked Questions

What is the IUPAC name of nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane?
The IUPAC name of nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane (CID 101083105) is nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane.
What is the SMILES notation for nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane?
The canonical SMILES for nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane is C1CC2CC3CCC4CC5CCC6CC7CCC8CC9CCC%10CC%11CCC%12CC1C1C2C2C3C4C3C5C6C4C7C8C5C9C%10C6C%11C%12C1C1C2C3C4C5C61.
What is the InChIKey of nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane?
The InChIKey is CLGLDMFSEXCKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H72/c1-2-20-14-22-5-6-24-16-26-9-11-29-18-30-12-10-28-17-27-8-7-25-15-23-4-3-21-13-19(1)31-32(20)44-34(22)36(24)46-39(26)41(29)48-42(30)40(28)47-38(27)37(25)45-35(23)33(21)43(31)49-50(44)52(46)54(48)53(47)51(45)49/h19-54H,1-18H2.
What are the key properties of nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane?
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane has a molecular weight of 721.17 g/mol, XLogP of 11.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane is sourced from PubChem (CID 101083105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).