3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine

C21H17N — CID 6539819

IUPAC3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESC(=C1\CC(c2ccccc2)c2ccccc21)\c1cccnc1
InChIInChI=1S/C21H17N/c1-2-8-17(9-3-1)21-14-18(13-16-7-6-12-22-15-16)19-10-4-5-11-20(19)21/h1-13,15,21H,14H2/b18-13+
InChIKeyADQBWRCDKUIPFI-QGOAFFKASA-N
MW283.37 g/mol
LogP5.16
Rot. Bonds2

About 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539819) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539819
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESC(=C1\CC(c2ccccc2)c2ccccc21)\c1cccnc1
InChIInChI=1S/C21H17N/c1-2-8-17(9-3-1)21-14-18(13-16-7-6-12-22-15-16)19-10-4-5-11-20(19)21/h1-13,15,21H,14H2/b18-13+
InChIKeyADQBWRCDKUIPFI-QGOAFFKASA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539819) is 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is C(=C1\CC(c2ccccc2)c2ccccc21)\c1cccnc1.
What is the InChIKey of 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is ADQBWRCDKUIPFI-QGOAFFKASA-N. The full InChI is InChI=1S/C21H17N/c1-2-8-17(9-3-1)21-14-18(13-16-7-6-12-22-15-16)19-10-4-5-11-20(19)21/h1-13,15,21H,14H2/b18-13+.
What are the key properties of 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 283.37 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).