(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione

C23H22N4O2 — CID 11014523

IUPAC(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione
SMILESO=C1[C@@H]2[C@@H](CN3N(c4ccccc4)N=C4CCCC[C@]423)C(=O)N1c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-21-18-15-25-23(20(18)22(29)26(21)16-9-3-1-4-10-16)14-8-7-13-19(23)24-27(25)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t18-,20+,23+/m1/s1
InChIKeyFOMVOBSEIQOJKC-RFWXGWTQSA-N
MW386.45 g/mol
LogP3.21
Rot. Bonds2

About (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione

(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione (PubChem CID 11014523) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione.

Molecular Properties

Compound Name(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione
PubChem CID11014523
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione
SMILESO=C1[C@@H]2[C@@H](CN3N(c4ccccc4)N=C4CCCC[C@]423)C(=O)N1c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-21-18-15-25-23(20(18)22(29)26(21)16-9-3-1-4-10-16)14-8-7-13-19(23)24-27(25)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t18-,20+,23+/m1/s1
InChIKeyFOMVOBSEIQOJKC-RFWXGWTQSA-N
XLogP3.21
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione?
The IUPAC name of (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione (CID 11014523) is (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione.
What is the SMILES notation for (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione?
The canonical SMILES for (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione is O=C1[C@@H]2[C@@H](CN3N(c4ccccc4)N=C4CCCC[C@]423)C(=O)N1c1ccccc1.
What is the InChIKey of (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione?
The InChIKey is FOMVOBSEIQOJKC-RFWXGWTQSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21-18-15-25-23(20(18)22(29)26(21)16-9-3-1-4-10-16)14-8-7-13-19(23)24-27(25)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2/t18-,20+,23+/m1/s1.
What are the key properties of (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione?
(1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione has a molecular weight of 386.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11S,15R)-8,13-diphenyl-7,8,9,13-tetrazatetracyclo[7.6.0.01,6.011,15]pentadec-6-ene-12,14-dione is sourced from PubChem (CID 11014523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).