2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane

C52H44 — CID 174082250

IUPAC2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane
SMILESCC1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C(C)C%14(C)C%15(C)C%16(C)C1(C)C21C32C43C54C65C7(C)C6(C)C7(C)C8(C)C98C%109C%11%10C%12%11C%13%14C%15%12C%161C21C%11%12C%102C9%10C78C65C4%10C312
InChIInChI=1S/C52H44/c1-11-13-17-21-23-19-15-16-20-24-22-18-14-12(2)26(4)30(8)29(7)25(11,3)33(13)37(17)41(21)39(23)35(19)27(15,5)31(9)32(10)28(16,6)36(20)40(24)42(22)38(18)34(14,26)44(30)43(29,33)47(37)48(38,44)52(42)50(40)46(32,36)45(31,35)49(39,50)51(41,47)52/h11-24H,1-10H3
InChIKeyYZZUOSOMEQHTBT-UHFFFAOYSA-N
MW668.92 g/mol
LogP6.85
Rot. Bonds

About 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane

2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane (PubChem CID 174082250) has the molecular formula C52H44 and a molecular weight of 668.92 g/mol. Its IUPAC name is 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane.

Molecular Properties

Compound Name2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane
PubChem CID174082250
Molecular FormulaC52H44
Molecular Weight668.92 g/mol
Exact Mass668.34
IUPAC Name2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane
SMILESCC1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C(C)C%14(C)C%15(C)C%16(C)C1(C)C21C32C43C54C65C7(C)C6(C)C7(C)C8(C)C98C%109C%11%10C%12%11C%13%14C%15%12C%161C21C%11%12C%102C9%10C78C65C4%10C312
InChIInChI=1S/C52H44/c1-11-13-17-21-23-19-15-16-20-24-22-18-14-12(2)26(4)30(8)29(7)25(11,3)33(13)37(17)41(21)39(23)35(19)27(15,5)31(9)32(10)28(16,6)36(20)40(24)42(22)38(18)34(14,26)44(30)43(29,33)47(37)48(38,44)52(42)50(40)46(32,36)45(31,35)49(39,50)51(41,47)52/h11-24H,1-10H3
InChIKeyYZZUOSOMEQHTBT-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.92
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane with MolForge

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

Launch Full Analysis

Related Compounds

1,2,33,34,35,36-hexamethylpentahexacontacyclo[30.4.4.34,39.26,7.28,9.210,11.212,13.217,18.221,22.223,24.225,26.227,28.229,30.114,16.131,40.03,37.034,40.035,39.036,38.449,52.342,47.343,64.360,62.248,63.258,59.15,65.153,55.019,54.037,44.038,43.041,42.041,45.044,66.045,84.046,47.046,83.048,49.050,51.050,80.051,79.052,53.054,55.056,57.056,76.057,58.059,60.061,62.061,73.063,64.065,68.066,69.067,70.067,82.068,83.069,84.070,72.071,81.071,82.072,81.073,80.074,75.074,79.075,78.076,77.077,78]tetraoctacontane
CID 58991895
1,2,2,3,4,5,6,7,8,9,10,22,23,24-tetradecamethyldotriacontacyclo[19.3.3.24,26.25,6.27,8.29,12.216,17.218,19.113,15.120,27.03,25.023,27.024,26.329,33.134,36.011,37.025,30.028,29.028,31.030,41.031,45.032,33.032,44.034,35.035,36.037,38.038,42.039,40.039,43.040,44.041,45.042,43]pentatetracontane
CID 59929066
1,2,20,21,22-pentamethyloctacosacyclo[17.3.3.24,24.26,7.28,11.214,15.216,17.118,25.03,23.021,25.022,24.35,30.131,33.010,34.012,32.023,28.026,27.026,29.027,39.028,40.029,39.030,31.032,33.034,35.035,37.036,38.036,40.037,38]tetracontane
CID 174084191
CID 20686197
CID 20686197
4,5,5,6,7,8,14,15-octamethylnonacyclo[8.6.0.01,12.02,7.02,9.03,6.03,16.04,15.013,16]hexadecane
CID 143863315
CID 160921576
CID 160921576
(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane
CID 59097370
1,2,2,3,5,5,6-heptamethylbicyclo[2.1.1]hexane
CID 142061780
CID 59065448
CID 59065448
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891
7,8,9-trimethylhenicosacyclo[11.4.4.44,5.29,20.110,11.112,21.03,18.06,10.015,21.016,20.017,19.07,26.08,27.018,29.019,28.022,23.022,25.023,28.024,25.024,27.026,29]nonacosane
CID 174062340
1,2,3,4,4,5,5,6,7,8,9,10,11,12,13,14-hexadecamethylhexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 123795452

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane?
The IUPAC name of 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane (CID 174082250) is 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane.
What is the SMILES notation for 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane?
The canonical SMILES for 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane is CC1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C(C)C%14(C)C%15(C)C%16(C)C1(C)C21C32C43C54C65C7(C)C6(C)C7(C)C8(C)C98C%109C%11%10C%12%11C%13%14C%15%12C%161C21C%11%12C%102C9%10C78C65C4%10C312.
What is the InChIKey of 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane?
The InChIKey is YZZUOSOMEQHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44/c1-11-13-17-21-23-19-15-16-20-24-22-18-14-12(2)26(4)30(8)29(7)25(11,3)33(13)37(17)41(21)39(23)35(19)27(15,5)31(9)32(10)28(16,6)36(20)40(24)42(22)38(18)34(14,26)44(30)43(29,33)47(37)48(38,44)52(42)50(40)46(32,36)45(31,35)49(39,50)51(41,47)52/h11-24H,1-10H3.
What are the key properties of 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane?
2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane has a molecular weight of 668.92 g/mol, XLogP of 6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane is sourced from PubChem (CID 174082250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).