(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene

C26H20N2O — CID 102126374

IUPAC(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene
SMILESC1=C(c2ccccc2)N2[C@@H](c3ccccc3)CO[C@@H]2c2cc3ccccc3nc21
InChIInChI=1S/C26H20N2O/c1-3-9-18(10-4-1)24-16-23-21(15-20-13-7-8-14-22(20)27-23)26-28(24)25(17-29-26)19-11-5-2-6-12-19/h1-16,25-26H,17H2/t25-,26-/m1/s1
InChIKeyNPDKUVNXCNWSHU-CLJLJLNGSA-N
MW376.46 g/mol
LogP5.82
Rot. Bonds2

About (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene

(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene (PubChem CID 102126374) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene.

Molecular Properties

Compound Name(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene
PubChem CID102126374
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene
SMILESC1=C(c2ccccc2)N2[C@@H](c3ccccc3)CO[C@@H]2c2cc3ccccc3nc21
InChIInChI=1S/C26H20N2O/c1-3-9-18(10-4-1)24-16-23-21(15-20-13-7-8-14-22(20)27-23)26-28(24)25(17-29-26)19-11-5-2-6-12-19/h1-16,25-26H,17H2/t25-,26-/m1/s1
InChIKeyNPDKUVNXCNWSHU-CLJLJLNGSA-N
XLogP5.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene 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 (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene?
The IUPAC name of (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene (CID 102126374) is (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene.
What is the SMILES notation for (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene?
The canonical SMILES for (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene is C1=C(c2ccccc2)N2[C@@H](c3ccccc3)CO[C@@H]2c2cc3ccccc3nc21.
What is the InChIKey of (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene?
The InChIKey is NPDKUVNXCNWSHU-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H20N2O/c1-3-9-18(10-4-1)24-16-23-21(15-20-13-7-8-14-22(20)27-23)26-28(24)25(17-29-26)19-11-5-2-6-12-19/h1-16,25-26H,17H2/t25-,26-/m1/s1.
What are the key properties of (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene?
(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene has a molecular weight of 376.46 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene is sourced from PubChem (CID 102126374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).