(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C30H27NO2 — CID 102312364

IUPAC(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)[C@]2(c3ccccc3)[C@H](c3ccccc3)[C@@]1(C)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C30H27NO2/c1-19-20(2)30(22-15-9-5-10-16-22)25-24(29(19,3)26(30)21-13-7-4-8-14-21)27(32)31(28(25)33)23-17-11-6-12-18-23/h4-18,24-26H,1-3H3/t24-,25+,26+,29+,30+/m0/s1
InChIKeyLFHPWTCVTXKUDT-XCFIRPTDSA-N
MW433.55 g/mol
LogP5.88
Rot. Bonds3

About (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 102312364) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID102312364
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)[C@]2(c3ccccc3)[C@H](c3ccccc3)[C@@]1(C)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C30H27NO2/c1-19-20(2)30(22-15-9-5-10-16-22)25-24(29(19,3)26(30)21-13-7-4-8-14-21)27(32)31(28(25)33)23-17-11-6-12-18-23/h4-18,24-26H,1-3H3/t24-,25+,26+,29+,30+/m0/s1
InChIKeyLFHPWTCVTXKUDT-XCFIRPTDSA-N
XLogP5.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 102312364) is (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC1=C(C)[C@]2(c3ccccc3)[C@H](c3ccccc3)[C@@]1(C)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12.
What is the InChIKey of (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is LFHPWTCVTXKUDT-XCFIRPTDSA-N. The full InChI is InChI=1S/C30H27NO2/c1-19-20(2)30(22-15-9-5-10-16-22)25-24(29(19,3)26(30)21-13-7-4-8-14-21)27(32)31(28(25)33)23-17-11-6-12-18-23/h4-18,24-26H,1-3H3/t24-,25+,26+,29+,30+/m0/s1.
What are the key properties of (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 433.55 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R,10R)-1,8,9-trimethyl-4,7,10-triphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 102312364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).