5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane

C64H76 — CID 123405256

IUPAC5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane
SMILESc1ccc(C2C3CC4C(CC3C(c3ccccc3)C3C5CCCC6CCCC(C65)C23)C2CCC3C5C(CCC4C25)C2C(c4ccccc4)C4CCCCC4C(c4ccccc4)C32)cc1
InChIInChI=1S/C64H76/c1-5-17-38(18-6-1)55-42-27-13-14-28-43(42)56(39-19-7-2-8-20-39)64-49-34-32-45-51-36-53-52(35-50(51)44-31-33-48(63(55)64)60(49)59(44)45)57(40-21-9-3-10-22-40)61-46-29-15-25-37-26-16-30-47(54(37)46)62(61)58(53)41-23-11-4-12-24-41/h1-12,17-24,37,42-64H,13-16,25-36H2
InChIKeyUBGXREOPILDQBD-UHFFFAOYSA-N
MW845.31 g/mol
LogP15.84
Rot. Bonds4

About 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane

5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane (PubChem CID 123405256) has the molecular formula C64H76 and a molecular weight of 845.31 g/mol. Its IUPAC name is 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane.

Molecular Properties

Compound Name5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane
PubChem CID123405256
Molecular FormulaC64H76
Molecular Weight845.31 g/mol
Exact Mass844.59
IUPAC Name5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane
SMILESc1ccc(C2C3CC4C(CC3C(c3ccccc3)C3C5CCCC6CCCC(C65)C23)C2CCC3C5C(CCC4C25)C2C(c4ccccc4)C4CCCCC4C(c4ccccc4)C32)cc1
InChIInChI=1S/C64H76/c1-5-17-38(18-6-1)55-42-27-13-14-28-43(42)56(39-19-7-2-8-20-39)64-49-34-32-45-51-36-53-52(35-50(51)44-31-33-48(63(55)64)60(49)59(44)45)57(40-21-9-3-10-22-40)61-46-29-15-25-37-26-16-30-47(54(37)46)62(61)58(53)41-23-11-4-12-24-41/h1-12,17-24,37,42-64H,13-16,25-36H2
InChIKeyUBGXREOPILDQBD-UHFFFAOYSA-N
XLogP15.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.31
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane?
The IUPAC name of 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane (CID 123405256) is 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane.
What is the SMILES notation for 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane?
The canonical SMILES for 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane is c1ccc(C2C3CC4C(CC3C(c3ccccc3)C3C5CCCC6CCCC(C65)C23)C2CCC3C5C(CCC4C25)C2C(c4ccccc4)C4CCCCC4C(c4ccccc4)C32)cc1.
What is the InChIKey of 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane?
The InChIKey is UBGXREOPILDQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H76/c1-5-17-38(18-6-1)55-42-27-13-14-28-43(42)56(39-19-7-2-8-20-39)64-49-34-32-45-51-36-53-52(35-50(51)44-31-33-48(63(55)64)60(49)59(44)45)57(40-21-9-3-10-22-40)61-46-29-15-25-37-26-16-30-47(54(37)46)62(61)58(53)41-23-11-4-12-24-41/h1-12,17-24,37,42-64H,13-16,25-36H2.
What are the key properties of 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane?
5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane has a molecular weight of 845.31 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane is sourced from PubChem (CID 123405256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).