dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane

C56H30 — CID 59751642

IUPACdotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12CC%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C1C21C32C43C54C67C85C96C%107C%118C%13%12C%149C%15%10C%16%11C%17%18C%19%12C%20%13C%21%14C%221C21C32C45C63C74C98C%105C%11%12C%136C%141C23C564
InChIInChI=1S/C56H30/c1-5-13-21-14-6-2-11-19-25-26-20-12-4-8-16-22-15-7-3-10-18-24-23-17-9(1)27(5)31(13)39(21)32(14)28(6,11)37(19)43(25)44(26)38(20)30(8,12)34(16)40(22)33(15)29(7,10)36(18)42(24)41(23)35(17,27)45(31)49(39)46(32,37)53(43)54(44)48(34,38)50(40)47(33,36)52(42)51(41,45)55(49,53)56(50,52)54/h5-26H,1-4H2
InChIKeyCJPUFDMECBTJMR-UHFFFAOYSA-N
MW702.86 g/mol
LogP4.27
Rot. Bonds

About dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane

dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane (PubChem CID 59751642) has the molecular formula C56H30 and a molecular weight of 702.86 g/mol. Its IUPAC name is dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane.

Molecular Properties

Compound Namedotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane
PubChem CID59751642
Molecular FormulaC56H30
Molecular Weight702.86 g/mol
Exact Mass702.23
IUPAC Namedotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12CC%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C1C21C32C43C54C67C85C96C%107C%118C%13%12C%149C%15%10C%16%11C%17%18C%19%12C%20%13C%21%14C%221C21C32C45C63C74C98C%105C%11%12C%136C%141C23C564
InChIInChI=1S/C56H30/c1-5-13-21-14-6-2-11-19-25-26-20-12-4-8-16-22-15-7-3-10-18-24-23-17-9(1)27(5)31(13)39(21)32(14)28(6,11)37(19)43(25)44(26)38(20)30(8,12)34(16)40(22)33(15)29(7,10)36(18)42(24)41(23)35(17,27)45(31)49(39)46(32,37)53(43)54(44)48(34,38)50(40)47(33,36)52(42)51(41,45)55(49,53)56(50,52)54/h5-26H,1-4H2
InChIKeyCJPUFDMECBTJMR-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane?
The IUPAC name of dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane (CID 59751642) is dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane.
What is the SMILES notation for dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane?
The canonical SMILES for dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane is C1C2C3C4C5C6CC7C8C9C%10C%11C%12CC%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C1C21C32C43C54C67C85C96C%107C%118C%13%12C%149C%15%10C%16%11C%17%18C%19%12C%20%13C%21%14C%221C21C32C45C63C74C98C%105C%11%12C%136C%141C23C564.
What is the InChIKey of dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane?
The InChIKey is CJPUFDMECBTJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30/c1-5-13-21-14-6-2-11-19-25-26-20-12-4-8-16-22-15-7-3-10-18-24-23-17-9(1)27(5)31(13)39(21)32(14)28(6,11)37(19)43(25)44(26)38(20)30(8,12)34(16)40(22)33(15)29(7,10)36(18)42(24)41(23)35(17,27)45(31)49(39)46(32,37)53(43)54(44)48(34,38)50(40)47(33,36)52(42)51(41,45)55(49,53)56(50,52)54/h5-26H,1-4H2.
What are the key properties of dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane?
dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane has a molecular weight of 702.86 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane is sourced from PubChem (CID 59751642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).