tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane

C70H34 — CID 20651980

IUPACtetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%15%14C%16%11C%17%12C%18%13C%19%20C%21%14C%22%15C%23%16C%24%17C%25%18C%261C21C32C45C63C74C85C96C%11%10C%127C%13%14C%158C%169C%17%10C%181C23C%104C95C786
InChIInChI=1S/C70H34/c1-5-13-21-14-6-2-10-19-25-29-30-26-20-12-4-8-16-22-15-7-3-11-18-24-28-27-23-17-9(1)31(5)35(13)43(21)36(14)32(6,10)40(19)47(25)51(29)52(30)48(26)42(20)34(8,12)38(16)44(22)37(15)33(7,11)41(18)46(24)50(28)49(27)45(23)39(17,31)53(35)57(43)54(36,40)60(47)65(51)66(52)62(48)56(38,42)58(44)55(37,41)61(46)64(50)63(49)59(45,53)67(57,60)69(63,65)70(64,66)68(58,61)62/h5-30H,1-4H2
InChIKeyZWTLLYRDHKOSJJ-UHFFFAOYSA-N
MW875.04 g/mol
LogP4.76
Rot. Bonds

About tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane

tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane (PubChem CID 20651980) has the molecular formula C70H34 and a molecular weight of 875.04 g/mol. Its IUPAC name is tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane.

Molecular Properties

Compound Nametetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane
PubChem CID20651980
Molecular FormulaC70H34
Molecular Weight875.04 g/mol
Exact Mass874.27
IUPAC Nametetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%15%14C%16%11C%17%12C%18%13C%19%20C%21%14C%22%15C%23%16C%24%17C%25%18C%261C21C32C45C63C74C85C96C%11%10C%127C%13%14C%158C%169C%17%10C%181C23C%104C95C786
InChIInChI=1S/C70H34/c1-5-13-21-14-6-2-10-19-25-29-30-26-20-12-4-8-16-22-15-7-3-11-18-24-28-27-23-17-9(1)31(5)35(13)43(21)36(14)32(6,10)40(19)47(25)51(29)52(30)48(26)42(20)34(8,12)38(16)44(22)37(15)33(7,11)41(18)46(24)50(28)49(27)45(23)39(17,31)53(35)57(43)54(36,40)60(47)65(51)66(52)62(48)56(38,42)58(44)55(37,41)61(46)64(50)63(49)59(45,53)67(57,60)69(63,65)70(64,66)68(58,61)62/h5-30H,1-4H2
InChIKeyZWTLLYRDHKOSJJ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500875.04
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane?
The IUPAC name of tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane (CID 20651980) is tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane.
What is the SMILES notation for tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane?
The canonical SMILES for tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane is C1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14CC%15C%16C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%15%14C%16%11C%17%12C%18%13C%19%20C%21%14C%22%15C%23%16C%24%17C%25%18C%261C21C32C45C63C74C85C96C%11%10C%127C%13%14C%158C%169C%17%10C%181C23C%104C95C786.
What is the InChIKey of tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane?
The InChIKey is ZWTLLYRDHKOSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H34/c1-5-13-21-14-6-2-10-19-25-29-30-26-20-12-4-8-16-22-15-7-3-11-18-24-28-27-23-17-9(1)31(5)35(13)43(21)36(14)32(6,10)40(19)47(25)51(29)52(30)48(26)42(20)34(8,12)38(16)44(22)37(15)33(7,11)41(18)46(24)50(28)49(27)45(23)39(17,31)53(35)57(43)54(36,40)60(47)65(51)66(52)62(48)56(38,42)58(44)55(37,41)61(46)64(50)63(49)59(45,53)67(57,60)69(63,65)70(64,66)68(58,61)62/h5-30H,1-4H2.
What are the key properties of tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane?
tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane has a molecular weight of 875.04 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane is sourced from PubChem (CID 20651980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).