5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane

C74H132N8 — CID 91161322

About 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane

5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane (PubChem CID 91161322) has the molecular formula C74H132N8 and a molecular weight of 1133.93 g/mol. Its IUPAC name is 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane.

Molecular Properties

• Compound Name: 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane
• PubChem CID: 91161322
• Molecular Formula: C74H132N8
• Molecular Weight: 1133.93 g/mol
• Exact Mass: 1133.06
• IUPAC Name: 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane
• SMILES: CC1C(C)C(C)C2C(C)C3C4NC(NC5C6C(C)C7C(C)C(C)C(C)C(C)C7C(C)C6C(NC6NC(NC7C8C(C)C9C(C)C(C)C(C)C(C)C9C(C)C8C(N4)N7C)C4C(C)C7C(C)C(C)C(C)C(C)C7C(C)C64)N5C)C3C(C)C2C1C
• InChI: InChI=1S/C74H132N8/c1-27-28(2)36(10)52-44(18)60-59(43(17)51(52)35(27)9)67-75-68(60)78-72-65-49(23)57-41(15)33(7)34(8)42(16)58(57)50(24)66(65)74(82(72)26)80-70-62-46(20)54-38(12)30(4)29(3)37(11)53(54)45(19)61(62)69(76-70)79-73-64-48(22)56-40(14)32(6)31(5)39(13)55(56)47(21)63(64)71(77-67)81(73)25/h27-80H,1-26H3
• InChIKey: IYTLLRHRERZOSC-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 78.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.93
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane?

The IUPAC name of 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane (CID 91161322) is 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane.

What is the SMILES notation for 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane?

The canonical SMILES for 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane is CC1C(C)C(C)C2C(C)C3C4NC(NC5C6C(C)C7C(C)C(C)C(C)C(C)C7C(C)C6C(NC6NC(NC7C8C(C)C9C(C)C(C)C(C)C(C)C9C(C)C8C(N4)N7C)C4C(C)C7C(C)C(C)C(C)C(C)C7C(C)C64)N5C)C3C(C)C2C1C.

What is the InChIKey of 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane?

The InChIKey is IYTLLRHRERZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H132N8/c1-27-28(2)36(10)52-44(18)60-59(43(17)51(52)35(27)9)67-75-68(60)78-72-65-49(23)57-41(15)33(7)34(8)42(16)58(57)50(24)66(65)74(82(72)26)80-70-62-46(20)54-38(12)30(4)29(3)37(11)53(54)45(19)61(62)69(76-70)79-73-64-48(22)56-40(14)32(6)31(5)39(13)55(56)47(21)63(64)71(77-67)81(73)25/h27-80H,1-26H3.

What are the key properties of 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane?

5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane has a molecular weight of 1133.93 g/mol, XLogP of 13.30, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51,53,55-hexacosamethyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentacontane is sourced from PubChem (CID 91161322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).