CID 59126144

C39H51O2 — CID 59126144

IUPAC—
SMILESC/C=C(/C)c1ccc(C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2cc(C(C)(C)C)c([O])c(C(C)(C)C)c2)cc1
InChIInChI=1S/C39H51O2/c1-15-24(2)25-16-18-26(19-17-25)33(27-20-29(36(3,4)5)34(40)30(21-27)37(6,7)8)28-22-31(38(9,10)11)35(41)32(23-28)39(12,13)14/h15-23H,1-14H3/b24-15-
InChIKeySQARNRVHGHTGGH-IWIPYMOSSA-N
MW551.84 g/mol
LogP11.18
Rot. Bonds3

About CID 59126144

CID 59126144 (PubChem CID 59126144) has the molecular formula C39H51O2 and a molecular weight of 551.84 g/mol.

Molecular Properties

Compound NameCID 59126144
PubChem CID59126144
Molecular FormulaC39H51O2
Molecular Weight551.84 g/mol
Exact Mass551.39
IUPAC Name—
SMILESC/C=C(/C)c1ccc(C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2cc(C(C)(C)C)c([O])c(C(C)(C)C)c2)cc1
InChIInChI=1S/C39H51O2/c1-15-24(2)25-16-18-26(19-17-25)33(27-20-29(36(3,4)5)34(40)30(21-27)37(6,7)8)28-22-31(38(9,10)11)35(41)32(23-28)39(12,13)14/h15-23H,1-14H3/b24-15-
InChIKeySQARNRVHGHTGGH-IWIPYMOSSA-N
XLogP11.18
TPSA36.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59126144?
The IUPAC name of CID 59126144 (CID 59126144) is not available.
What is the SMILES notation for CID 59126144?
The canonical SMILES for CID 59126144 is C/C=C(/C)c1ccc(C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2cc(C(C)(C)C)c([O])c(C(C)(C)C)c2)cc1.
What is the InChIKey of CID 59126144?
The InChIKey is SQARNRVHGHTGGH-IWIPYMOSSA-N. The full InChI is InChI=1S/C39H51O2/c1-15-24(2)25-16-18-26(19-17-25)33(27-20-29(36(3,4)5)34(40)30(21-27)37(6,7)8)28-22-31(38(9,10)11)35(41)32(23-28)39(12,13)14/h15-23H,1-14H3/b24-15-.
What are the key properties of CID 59126144?
CID 59126144 has a molecular weight of 551.84 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59126144 is sourced from PubChem (CID 59126144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).