2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene

C35H24Se — CID 53342881

IUPAC2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene
SMILESC(#Cc1ccc2ccccc2c1)/C=C(\[Se]Cc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C35H24Se/c1-4-12-31-22-26(16-18-28(31)9-1)8-7-15-35(34-21-20-30-11-3-6-14-33(30)24-34)36-25-27-17-19-29-10-2-5-13-32(29)23-27/h1-6,9-24H,25H2/b35-15-
InChIKeyIMOJXDRJLYVBCB-BYDMSBDESA-N
MW523.54 g/mol
LogP8.44
Rot. Bonds4

About 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene

2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene (PubChem CID 53342881) has the molecular formula C35H24Se and a molecular weight of 523.54 g/mol. Its IUPAC name is 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene.

Molecular Properties

Compound Name2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene
PubChem CID53342881
Molecular FormulaC35H24Se
Molecular Weight523.54 g/mol
Exact Mass524.10
IUPAC Name2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene
SMILESC(#Cc1ccc2ccccc2c1)/C=C(\[Se]Cc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C35H24Se/c1-4-12-31-22-26(16-18-28(31)9-1)8-7-15-35(34-21-20-30-11-3-6-14-33(30)24-34)36-25-27-17-19-29-10-2-5-13-32(29)23-27/h1-6,9-24H,25H2/b35-15-
InChIKeyIMOJXDRJLYVBCB-BYDMSBDESA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene?
The IUPAC name of 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene (CID 53342881) is 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene.
What is the SMILES notation for 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene?
The canonical SMILES for 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene is C(#Cc1ccc2ccccc2c1)/C=C(\[Se]Cc1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene?
The InChIKey is IMOJXDRJLYVBCB-BYDMSBDESA-N. The full InChI is InChI=1S/C35H24Se/c1-4-12-31-22-26(16-18-28(31)9-1)8-7-15-35(34-21-20-30-11-3-6-14-33(30)24-34)36-25-27-17-19-29-10-2-5-13-32(29)23-27/h1-6,9-24H,25H2/b35-15-.
What are the key properties of 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene?
2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene has a molecular weight of 523.54 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-1,4-dinaphthalen-2-ylbut-1-en-3-ynyl]selanylmethyl]naphthalene is sourced from PubChem (CID 53342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).