(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene

C21H20N2 — CID 124909462

IUPAC(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
SMILESc1ccc([C@@]23N=N[C@@](c4ccccc4)([C@@H]4CC[C@@H]42)[C@H]2C[C@@H]23)cc1
InChIInChI=1S/C21H20N2/c1-3-7-14(8-4-1)20-16-11-12-17(16)21(23-22-20,19-13-18(19)20)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18-,19-,20+,21-/m0/s1
InChIKeyFWXPESVBGZKFCH-FITZOCOBSA-N
MW300.40 g/mol
LogP4.92
Rot. Bonds2

About (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene

(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene (PubChem CID 124909462) has the molecular formula C21H20N2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene.

Molecular Properties

Compound Name(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
PubChem CID124909462
Molecular FormulaC21H20N2
Molecular Weight300.40 g/mol
Exact Mass300.16
IUPAC Name(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
SMILESc1ccc([C@@]23N=N[C@@](c4ccccc4)([C@@H]4CC[C@@H]42)[C@H]2C[C@@H]23)cc1
InChIInChI=1S/C21H20N2/c1-3-7-14(8-4-1)20-16-11-12-17(16)21(23-22-20,19-13-18(19)20)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18-,19-,20+,21-/m0/s1
InChIKeyFWXPESVBGZKFCH-FITZOCOBSA-N
XLogP4.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene?
The IUPAC name of (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene (CID 124909462) is (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene.
What is the SMILES notation for (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene?
The canonical SMILES for (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene is c1ccc([C@@]23N=N[C@@](c4ccccc4)([C@@H]4CC[C@@H]42)[C@H]2C[C@@H]23)cc1.
What is the InChIKey of (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene?
The InChIKey is FWXPESVBGZKFCH-FITZOCOBSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-7-14(8-4-1)20-16-11-12-17(16)21(23-22-20,19-13-18(19)20)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+,18-,19-,20+,21-/m0/s1.
What are the key properties of (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene?
(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene has a molecular weight of 300.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene is sourced from PubChem (CID 124909462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).