2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine

C23H19N — CID 166764266

IUPAC2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine
SMILESC=Cc1ccc2c(c1)-c1cc(C=C)ccc1C(c1ccccc1)N2
InChIInChI=1S/C23H19N/c1-3-16-10-12-19-20(14-16)21-15-17(4-2)11-13-22(21)24-23(19)18-8-6-5-7-9-18/h3-15,23-24H,1-2H2
InChIKeyYYPKGNTUQDOOSP-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.15
Rot. Bonds3

About 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine

2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine (PubChem CID 166764266) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine.

Molecular Properties

Compound Name2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine
PubChem CID166764266
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine
SMILESC=Cc1ccc2c(c1)-c1cc(C=C)ccc1C(c1ccccc1)N2
InChIInChI=1S/C23H19N/c1-3-16-10-12-19-20(14-16)21-15-17(4-2)11-13-22(21)24-23(19)18-8-6-5-7-9-18/h3-15,23-24H,1-2H2
InChIKeyYYPKGNTUQDOOSP-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine?
The IUPAC name of 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine (CID 166764266) is 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine.
What is the SMILES notation for 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine?
The canonical SMILES for 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine is C=Cc1ccc2c(c1)-c1cc(C=C)ccc1C(c1ccccc1)N2.
What is the InChIKey of 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine?
The InChIKey is YYPKGNTUQDOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-3-16-10-12-19-20(14-16)21-15-17(4-2)11-13-22(21)24-23(19)18-8-6-5-7-9-18/h3-15,23-24H,1-2H2.
What are the key properties of 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine?
2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine has a molecular weight of 309.41 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(ethenyl)-6-phenyl-5,6-dihydrophenanthridine is sourced from PubChem (CID 166764266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).