hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane

C66H42 — CID 140581447

IUPAChexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane
SMILESC1CC2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19CC%20C%21C%22C1C1C%22%23C%22C%24C%25C%21%26C%21C%27C%20%28C%20C%29C%30C%19C%18%19C%17%16C%15%16C%30%19C%29%15C%14%16C%13%14C%20%15C%28%13C%12%14C%11%12C%10%11C9%10C89C78C67C56C34C21C%236C%227C%248C%259C%26%10C%21%11C%27%12%13
InChIInChI=1S/C66H42/c1-2-8-9-4-12-19-22-23-25-29-27-26-28-24-21-18-13-5-11-14-7-3-10-17-15-6(1)32-39(15)34-31-35-40(17)37-36-38(10)33-30-20-16(7)44(14)42(11,13)45(18)46(20,44)55(30)48(21,45)51(24)57(28)53(26)54(27)58(29)52(25)50(23)49(22)47(19)41(9,12)43(8,32)64(39,47)59(34,49)56(31,50)61(35,52)66(40,58)63(37,54)62(36,53)65(38,57)60(33,51)55/h6-37H,1-5H2
InChIKeyMWZKWCOSTMADON-UHFFFAOYSA-N
MW835.06 g/mol
LogP5.89
Rot. Bonds

About hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane

hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane (PubChem CID 140581447) has the molecular formula C66H42 and a molecular weight of 835.06 g/mol. Its IUPAC name is hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane.

Molecular Properties

Compound Namehexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane
PubChem CID140581447
Molecular FormulaC66H42
Molecular Weight835.06 g/mol
Exact Mass834.33
IUPAC Namehexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane
SMILESC1CC2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19CC%20C%21C%22C1C1C%22%23C%22C%24C%25C%21%26C%21C%27C%20%28C%20C%29C%30C%19C%18%19C%17%16C%15%16C%30%19C%29%15C%14%16C%13%14C%20%15C%28%13C%12%14C%11%12C%10%11C9%10C89C78C67C56C34C21C%236C%227C%248C%259C%26%10C%21%11C%27%12%13
InChIInChI=1S/C66H42/c1-2-8-9-4-12-19-22-23-25-29-27-26-28-24-21-18-13-5-11-14-7-3-10-17-15-6(1)32-39(15)34-31-35-40(17)37-36-38(10)33-30-20-16(7)44(14)42(11,13)45(18)46(20,44)55(30)48(21,45)51(24)57(28)53(26)54(27)58(29)52(25)50(23)49(22)47(19)41(9,12)43(8,32)64(39,47)59(34,49)56(31,50)61(35,52)66(40,58)63(37,54)62(36,53)65(38,57)60(33,51)55/h6-37H,1-5H2
InChIKeyMWZKWCOSTMADON-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.06
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane?
The IUPAC name of hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane (CID 140581447) is hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane.
What is the SMILES notation for hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane?
The canonical SMILES for hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane is C1CC2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19CC%20C%21C%22C1C1C%22%23C%22C%24C%25C%21%26C%21C%27C%20%28C%20C%29C%30C%19C%18%19C%17%16C%15%16C%30%19C%29%15C%14%16C%13%14C%20%15C%28%13C%12%14C%11%12C%10%11C9%10C89C78C67C56C34C21C%236C%227C%248C%259C%26%10C%21%11C%27%12%13.
What is the InChIKey of hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane?
The InChIKey is MWZKWCOSTMADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42/c1-2-8-9-4-12-19-22-23-25-29-27-26-28-24-21-18-13-5-11-14-7-3-10-17-15-6(1)32-39(15)34-31-35-40(17)37-36-38(10)33-30-20-16(7)44(14)42(11,13)45(18)46(20,44)55(30)48(21,45)51(24)57(28)53(26)54(27)58(29)52(25)50(23)49(22)47(19)41(9,12)43(8,32)64(39,47)59(34,49)56(31,50)61(35,52)66(40,58)63(37,54)62(36,53)65(38,57)60(33,51)55/h6-37H,1-5H2.
What are the key properties of hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane?
hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane has a molecular weight of 835.06 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane is sourced from PubChem (CID 140581447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).