(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene

C15H12 — CID 23270805

IUPAC(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene
SMILES[2H][C@@]12C[C@@H]1C1c3cccc4cccc(c34)C12
InChIInChI=1S/C15H12/c1-3-8-4-2-6-10-13(8)9(5-1)14-11-7-12(11)15(10)14/h1-6,11-12,14-15H,7H2/t11-,12+,14?,15?/i11D/m1/s1
InChIKeyZXXVDIJIIOVHID-IVADPUJLSA-N
MW193.27 g/mol
LogP3.67
Rot. Bonds

About (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene

(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene (PubChem CID 23270805) has the molecular formula C15H12 and a molecular weight of 193.27 g/mol. Its IUPAC name is (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene.

Molecular Properties

Compound Name(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene
PubChem CID23270805
Molecular FormulaC15H12
Molecular Weight193.27 g/mol
Exact Mass193.10
IUPAC Name(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene
SMILES[2H][C@@]12C[C@@H]1C1c3cccc4cccc(c34)C12
InChIInChI=1S/C15H12/c1-3-8-4-2-6-10-13(8)9(5-1)14-11-7-12(11)15(10)14/h1-6,11-12,14-15H,7H2/t11-,12+,14?,15?/i11D/m1/s1
InChIKeyZXXVDIJIIOVHID-IVADPUJLSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene?
The IUPAC name of (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene (CID 23270805) is (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene.
What is the SMILES notation for (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene?
The canonical SMILES for (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene is [2H][C@@]12C[C@@H]1C1c3cccc4cccc(c34)C12.
What is the InChIKey of (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene?
The InChIKey is ZXXVDIJIIOVHID-IVADPUJLSA-N. The full InChI is InChI=1S/C15H12/c1-3-8-4-2-6-10-13(8)9(5-1)14-11-7-12(11)15(10)14/h1-6,11-12,14-15H,7H2/t11-,12+,14?,15?/i11D/m1/s1.
What are the key properties of (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene?
(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene has a molecular weight of 193.27 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene is sourced from PubChem (CID 23270805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).