14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione

C60H68O12 — CID 53344219

IUPAC14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione
SMILESCC1=C2C(=O)OCCOCCOCCOc3ccccc3OCCOCCOCCOC(=O)C3=C(C)OC(c4ccccc4)(c4ccccc4)C3CCCCCCC2C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C60H68O12/c1-45-55-51(59(71-45,47-21-9-5-10-22-47)48-23-11-6-12-24-48)29-17-3-4-18-30-52-56(46(2)72-60(52,49-25-13-7-14-26-49)50-27-15-8-16-28-50)58(62)70-44-40-66-36-34-64-38-42-68-54-32-20-19-31-53(54)67-41-37-63-33-35-65-39-43-69-57(55)61/h5-16,19-28,31-32,51-52H,3-4,17-18,29-30,33-44H2,1-2H3
InChIKeySIIXEWPOZZPPTA-UHFFFAOYSA-N
MW981.19 g/mol
LogP10.68
Rot. Bonds4

About 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione

14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione (PubChem CID 53344219) has the molecular formula C60H68O12 and a molecular weight of 981.19 g/mol. Its IUPAC name is 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione.

Molecular Properties

Compound Name14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione
PubChem CID53344219
Molecular FormulaC60H68O12
Molecular Weight981.19 g/mol
Exact Mass980.47
IUPAC Name14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione
SMILESCC1=C2C(=O)OCCOCCOCCOc3ccccc3OCCOCCOCCOC(=O)C3=C(C)OC(c4ccccc4)(c4ccccc4)C3CCCCCCC2C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C60H68O12/c1-45-55-51(59(71-45,47-21-9-5-10-22-47)48-23-11-6-12-24-48)29-17-3-4-18-30-52-56(46(2)72-60(52,49-25-13-7-14-26-49)50-27-15-8-16-28-50)58(62)70-44-40-66-36-34-64-38-42-68-54-32-20-19-31-53(54)67-41-37-63-33-35-65-39-43-69-57(55)61/h5-16,19-28,31-32,51-52H,3-4,17-18,29-30,33-44H2,1-2H3
InChIKeySIIXEWPOZZPPTA-UHFFFAOYSA-N
XLogP10.68
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.19
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione?
The IUPAC name of 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione (CID 53344219) is 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione.
What is the SMILES notation for 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione?
The canonical SMILES for 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione is CC1=C2C(=O)OCCOCCOCCOc3ccccc3OCCOCCOCCOC(=O)C3=C(C)OC(c4ccccc4)(c4ccccc4)C3CCCCCCC2C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione?
The InChIKey is SIIXEWPOZZPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68O12/c1-45-55-51(59(71-45,47-21-9-5-10-22-47)48-23-11-6-12-24-48)29-17-3-4-18-30-52-56(46(2)72-60(52,49-25-13-7-14-26-49)50-27-15-8-16-28-50)58(62)70-44-40-66-36-34-64-38-42-68-54-32-20-19-31-53(54)67-41-37-63-33-35-65-39-43-69-57(55)61/h5-16,19-28,31-32,51-52H,3-4,17-18,29-30,33-44H2,1-2H3.
What are the key properties of 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione?
14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione has a molecular weight of 981.19 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 14,27-dimethyl-16,16,25,25-tetraphenyl-2,5,8,11,15,26,30,33,36,39-decaoxatetracyclo[38.4.0.013,17.024,28]tetratetraconta-1(44),13,27,40,42-pentaene-12,29-dione is sourced from PubChem (CID 53344219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).