(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene

C27H28N2 — CID 69234389

IUPAC(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene
SMILESC1=C\CC2CN(c3ccc4ccccc4c3)C(C/1)CN2C1Cc2ccccc2C1
InChIInChI=1S/C27H28N2/c1-2-8-21-15-24(14-13-20(21)7-1)28-18-26-12-6-5-11-25(28)19-29(26)27-16-22-9-3-4-10-23(22)17-27/h1-10,13-15,25-27H,11-12,16-19H2/b6-5-
InChIKeyRIFFQYFTGPRQMH-WAYWQWQTSA-N
MW380.54 g/mol
LogP5.22
Rot. Bonds2

About (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene

(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene (PubChem CID 69234389) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene.

Molecular Properties

Compound Name(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene
PubChem CID69234389
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene
SMILESC1=C\CC2CN(c3ccc4ccccc4c3)C(C/1)CN2C1Cc2ccccc2C1
InChIInChI=1S/C27H28N2/c1-2-8-21-15-24(14-13-20(21)7-1)28-18-26-12-6-5-11-25(28)19-29(26)27-16-22-9-3-4-10-23(22)17-27/h1-10,13-15,25-27H,11-12,16-19H2/b6-5-
InChIKeyRIFFQYFTGPRQMH-WAYWQWQTSA-N
XLogP5.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene?
The IUPAC name of (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene (CID 69234389) is (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene.
What is the SMILES notation for (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene?
The canonical SMILES for (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene is C1=C\CC2CN(c3ccc4ccccc4c3)C(C/1)CN2C1Cc2ccccc2C1.
What is the InChIKey of (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene?
The InChIKey is RIFFQYFTGPRQMH-WAYWQWQTSA-N. The full InChI is InChI=1S/C27H28N2/c1-2-8-21-15-24(14-13-20(21)7-1)28-18-26-12-6-5-11-25(28)19-29(26)27-16-22-9-3-4-10-23(22)17-27/h1-10,13-15,25-27H,11-12,16-19H2/b6-5-.
What are the key properties of (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene?
(3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene has a molecular weight of 380.54 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(2,3-dihydro-1H-inden-2-yl)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene is sourced from PubChem (CID 69234389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).