(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione

C30H26O2 — CID 101366199

IUPAC(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione
SMILESCC1=C(c2ccccc2)[C@]2(C)C(=O)[C@]3(C)[C@H](C(=O)C12)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O2/c1-19-23(20-13-7-4-8-14-20)28(2)24(19)25(31)26-29(3,27(28)32)30(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24,26H,1-3H3/t24?,26-,28-,29-/m0/s1
InChIKeyRYSOKNBFEKNEAG-MZFMFKAGSA-N
MW418.54 g/mol
LogP5.87
Rot. Bonds3

About (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione

(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione (PubChem CID 101366199) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione.

Molecular Properties

Compound Name(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione
PubChem CID101366199
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione
SMILESCC1=C(c2ccccc2)[C@]2(C)C(=O)[C@]3(C)[C@H](C(=O)C12)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O2/c1-19-23(20-13-7-4-8-14-20)28(2)24(19)25(31)26-29(3,27(28)32)30(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24,26H,1-3H3/t24?,26-,28-,29-/m0/s1
InChIKeyRYSOKNBFEKNEAG-MZFMFKAGSA-N
XLogP5.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione?
The IUPAC name of (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione (CID 101366199) is (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione.
What is the SMILES notation for (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione?
The canonical SMILES for (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione is CC1=C(c2ccccc2)[C@]2(C)C(=O)[C@]3(C)[C@H](C(=O)C12)C3(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione?
The InChIKey is RYSOKNBFEKNEAG-MZFMFKAGSA-N. The full InChI is InChI=1S/C30H26O2/c1-19-23(20-13-7-4-8-14-20)28(2)24(19)25(31)26-29(3,27(28)32)30(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,24,26H,1-3H3/t24?,26-,28-,29-/m0/s1.
What are the key properties of (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione?
(1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione has a molecular weight of 418.54 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-1,3,8-trimethyl-4,4,9-triphenyltricyclo[5.2.0.03,5]non-8-ene-2,6-dione is sourced from PubChem (CID 101366199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).