nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene

C64H64 — CID 15618975

IUPACnonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene
SMILESc1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C64H64/c1-2-50-4-3-49(1)33-34-51-5-7-53(8-6-51)37-38-55-13-15-57(16-14-55)41-42-59-21-23-61(24-22-59)45-46-63-29-31-64(32-30-63)48-47-62-27-25-60(26-28-62)44-43-58-19-17-56(18-20-58)40-39-54-11-9-52(10-12-54)36-35-50/h1-32H,33-48H2
InChIKeyWTDAVFGLXAPIJY-UHFFFAOYSA-N
MW833.22 g/mol
LogP14.28
Rot. Bonds

About nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene

nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene (PubChem CID 15618975) has the molecular formula C64H64 and a molecular weight of 833.22 g/mol. Its IUPAC name is nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene.

Molecular Properties

Compound Namenonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene
PubChem CID15618975
Molecular FormulaC64H64
Molecular Weight833.22 g/mol
Exact Mass832.50
IUPAC Namenonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene
SMILESc1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C64H64/c1-2-50-4-3-49(1)33-34-51-5-7-53(8-6-51)37-38-55-13-15-57(16-14-55)41-42-59-21-23-61(24-22-59)45-46-63-29-31-64(32-30-63)48-47-62-27-25-60(26-28-62)44-43-58-19-17-56(18-20-58)40-39-54-11-9-52(10-12-54)36-35-50/h1-32H,33-48H2
InChIKeyWTDAVFGLXAPIJY-UHFFFAOYSA-N
XLogP14.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.22
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene?
The IUPAC name of nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene (CID 15618975) is nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene.
What is the SMILES notation for nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene?
The canonical SMILES for nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene is c1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2.
What is the InChIKey of nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene?
The InChIKey is WTDAVFGLXAPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64/c1-2-50-4-3-49(1)33-34-51-5-7-53(8-6-51)37-38-55-13-15-57(16-14-55)41-42-59-21-23-61(24-22-59)45-46-63-29-31-64(32-30-63)48-47-62-27-25-60(26-28-62)44-43-58-19-17-56(18-20-58)40-39-54-11-9-52(10-12-54)36-35-50/h1-32H,33-48H2.
What are the key properties of nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene?
nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene has a molecular weight of 833.22 g/mol, XLogP of 14.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[44.2.2.24,7.210,13.216,19.222,25.228,31.234,37.240,43]tetrahexaconta-1(49),4,6,10,12,16,18,22,24,28(56),29,31(55),34(54),35,37(53),40(52),41,43(51),46(50),47,57,59,61,63-tetracosaene is sourced from PubChem (CID 15618975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).