5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene

C30H23N3 — CID 177453085

IUPAC5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
SMILESC(=C(/c1ccccc1)n1nnc2c1-c1ccccc1CCc1ccccc1-2)\c1ccccc1
InChIInChI=1S/C30H23N3/c1-3-11-22(12-4-1)21-28(25-15-5-2-6-16-25)33-30-27-18-10-8-14-24(27)20-19-23-13-7-9-17-26(23)29(30)31-32-33/h1-18,21H,19-20H2/b28-21-
InChIKeyXQLRGLZZRYYZSO-HFTWOUSFSA-N
MW425.54 g/mol
LogP6.76
Rot. Bonds3

About 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene

5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene (PubChem CID 177453085) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene.

Molecular Properties

Compound Name5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
PubChem CID177453085
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
SMILESC(=C(/c1ccccc1)n1nnc2c1-c1ccccc1CCc1ccccc1-2)\c1ccccc1
InChIInChI=1S/C30H23N3/c1-3-11-22(12-4-1)21-28(25-15-5-2-6-16-25)33-30-27-18-10-8-14-24(27)20-19-23-13-7-9-17-26(23)29(30)31-32-33/h1-18,21H,19-20H2/b28-21-
InChIKeyXQLRGLZZRYYZSO-HFTWOUSFSA-N
XLogP6.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene?
The IUPAC name of 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene (CID 177453085) is 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene.
What is the SMILES notation for 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene?
The canonical SMILES for 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene is C(=C(/c1ccccc1)n1nnc2c1-c1ccccc1CCc1ccccc1-2)\c1ccccc1.
What is the InChIKey of 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene?
The InChIKey is XQLRGLZZRYYZSO-HFTWOUSFSA-N. The full InChI is InChI=1S/C30H23N3/c1-3-11-22(12-4-1)21-28(25-15-5-2-6-16-25)33-30-27-18-10-8-14-24(27)20-19-23-13-7-9-17-26(23)29(30)31-32-33/h1-18,21H,19-20H2/b28-21-.
What are the key properties of 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene?
5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene has a molecular weight of 425.54 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1,2-diphenylethenyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene is sourced from PubChem (CID 177453085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).