decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol

C63H54O2 — CID 10033475

IUPACdecacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
SMILESOC1c2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2C(O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C63H54O2/c64-62-58-33-15-11-29-54(58)41-52-27-9-7-25-50(52)39-48-23-5-3-21-46(48)37-44-19-1-2-20-45(44)38-47-22-4-6-24-49(47)40-51-26-8-10-28-53(51)42-55-30-12-16-34-59(55)63(65)61-36-18-14-32-57(61)43-56-31-13-17-35-60(56)62/h1-36,62-65H,37-43H2
InChIKeyNSENCFUKOIXSTR-UHFFFAOYSA-N
MW843.12 g/mol
LogP13.30
Rot. Bonds

About decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol

decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol (PubChem CID 10033475) has the molecular formula C63H54O2 and a molecular weight of 843.12 g/mol. Its IUPAC name is decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol.

Molecular Properties

Compound Namedecacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
PubChem CID10033475
Molecular FormulaC63H54O2
Molecular Weight843.12 g/mol
Exact Mass842.41
IUPAC Namedecacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
SMILESOC1c2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2C(O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C63H54O2/c64-62-58-33-15-11-29-54(58)41-52-27-9-7-25-50(52)39-48-23-5-3-21-46(48)37-44-19-1-2-20-45(44)38-47-22-4-6-24-49(47)40-51-26-8-10-28-53(51)42-55-30-12-16-34-59(55)63(65)61-36-18-14-32-57(61)43-56-31-13-17-35-60(56)62/h1-36,62-65H,37-43H2
InChIKeyNSENCFUKOIXSTR-UHFFFAOYSA-N
XLogP13.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.12
LogP ≤ 513.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol with MolForge

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Related Compounds

9H-fluorene;9H-fluoren-9-ol
CID 68734201
9-iodo-9,10-dihydroanthracene
CID 70258846
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
9,10-dihydroanthracene-9-carbonyl chloride
CID 14248600
N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
CID 88828717
(2S,4R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 59040472
9,10-dihydroanthracene;methanamine
CID 123513741
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
CID 14140318
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900

Frequently Asked Questions

What is the IUPAC name of decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol?
The IUPAC name of decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol (CID 10033475) is decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol.
What is the SMILES notation for decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol?
The canonical SMILES for decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol is OC1c2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2ccccc2C(O)c2ccccc2Cc2ccccc21.
What is the InChIKey of decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol?
The InChIKey is NSENCFUKOIXSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54O2/c64-62-58-33-15-11-29-54(58)41-52-27-9-7-25-50(52)39-48-23-5-3-21-46(48)37-44-19-1-2-20-45(44)38-47-22-4-6-24-49(47)40-51-26-8-10-28-53(51)42-55-30-12-16-34-59(55)63(65)61-36-18-14-32-57(61)43-56-31-13-17-35-60(56)62/h1-36,62-65H,37-43H2.
What are the key properties of decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol?
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol has a molecular weight of 843.12 g/mol, XLogP of 13.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol is sourced from PubChem (CID 10033475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).