2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene

C38H26 — CID 59221386

IUPAC2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
SMILESC(#Cc1ccc2cc(/C=C/c3ccccc3)ccc2c1)c1ccc2cc(/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C38H26/c1-3-7-29(8-4-1)11-13-31-17-21-37-27-33(19-23-35(37)25-31)15-16-34-20-24-36-26-32(18-22-38(36)28-34)14-12-30-9-5-2-6-10-30/h1-14,17-28H/b13-11+,14-12+
InChIKeyJPYHFZLIKHYROJ-PHEQNACWSA-N
MW482.63 g/mol
LogP9.73
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene

2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene (PubChem CID 59221386) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
PubChem CID59221386
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
SMILESC(#Cc1ccc2cc(/C=C/c3ccccc3)ccc2c1)c1ccc2cc(/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C38H26/c1-3-7-29(8-4-1)11-13-31-17-21-37-27-33(19-23-35(37)25-31)15-16-34-20-24-36-26-32(18-22-38(36)28-34)14-12-30-9-5-2-6-10-30/h1-14,17-28H/b13-11+,14-12+
InChIKeyJPYHFZLIKHYROJ-PHEQNACWSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene?
The IUPAC name of 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene (CID 59221386) is 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene is C(#Cc1ccc2cc(/C=C/c3ccccc3)ccc2c1)c1ccc2cc(/C=C/c3ccccc3)ccc2c1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene?
The InChIKey is JPYHFZLIKHYROJ-PHEQNACWSA-N. The full InChI is InChI=1S/C38H26/c1-3-7-29(8-4-1)11-13-31-17-21-37-27-33(19-23-35(37)25-31)15-16-34-20-24-36-26-32(18-22-38(36)28-34)14-12-30-9-5-2-6-10-30/h1-14,17-28H/b13-11+,14-12+.
What are the key properties of 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene?
2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene has a molecular weight of 482.63 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene is sourced from PubChem (CID 59221386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).