1,2,3-triphenylnonadecane-1,2,3-triol

C37H52O3 — CID 174525521

IUPAC1,2,3-triphenylnonadecane-1,2,3-triol
SMILESCCCCCCCCCCCCCCCCC(O)(c1ccccc1)C(O)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C37H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36(39,33-27-20-16-21-28-33)37(40,34-29-22-17-23-30-34)35(38)32-25-18-15-19-26-32/h15-23,25-30,35,38-40H,2-14,24,31H2,1H3
InChIKeyMNMGWMNHBDVTPF-UHFFFAOYSA-N
MW544.82 g/mol
LogP9.37
Rot. Bonds20

About 1,2,3-triphenylnonadecane-1,2,3-triol

1,2,3-triphenylnonadecane-1,2,3-triol (PubChem CID 174525521) has the molecular formula C37H52O3 and a molecular weight of 544.82 g/mol. Its IUPAC name is 1,2,3-triphenylnonadecane-1,2,3-triol.

Molecular Properties

Compound Name1,2,3-triphenylnonadecane-1,2,3-triol
PubChem CID174525521
Molecular FormulaC37H52O3
Molecular Weight544.82 g/mol
Exact Mass544.39
IUPAC Name1,2,3-triphenylnonadecane-1,2,3-triol
SMILESCCCCCCCCCCCCCCCCC(O)(c1ccccc1)C(O)(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C37H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36(39,33-27-20-16-21-28-33)37(40,34-29-22-17-23-30-34)35(38)32-25-18-15-19-26-32/h15-23,25-30,35,38-40H,2-14,24,31H2,1H3
InChIKeyMNMGWMNHBDVTPF-UHFFFAOYSA-N
XLogP9.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.82
LogP ≤ 59.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 141310981
1,1-diphenylhexan-1-amine
CID 20568221
2,2-difluoro-3-hydroxy-3-phenyloctanethioic S-acid
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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylnonadecane-1,2,3-triol?
The IUPAC name of 1,2,3-triphenylnonadecane-1,2,3-triol (CID 174525521) is 1,2,3-triphenylnonadecane-1,2,3-triol.
What is the SMILES notation for 1,2,3-triphenylnonadecane-1,2,3-triol?
The canonical SMILES for 1,2,3-triphenylnonadecane-1,2,3-triol is CCCCCCCCCCCCCCCCC(O)(c1ccccc1)C(O)(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 1,2,3-triphenylnonadecane-1,2,3-triol?
The InChIKey is MNMGWMNHBDVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36(39,33-27-20-16-21-28-33)37(40,34-29-22-17-23-30-34)35(38)32-25-18-15-19-26-32/h15-23,25-30,35,38-40H,2-14,24,31H2,1H3.
What are the key properties of 1,2,3-triphenylnonadecane-1,2,3-triol?
1,2,3-triphenylnonadecane-1,2,3-triol has a molecular weight of 544.82 g/mol, XLogP of 9.37, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylnonadecane-1,2,3-triol is sourced from PubChem (CID 174525521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).