2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene

C46H28 — CID 59413225

IUPAC2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESC(#Cc1ccc2cc(/C=C/c3ccc4cc(C#Cc5ccc6ccccc6c5)ccc4c3)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C46H28/c1-3-7-41-27-33(15-21-39(41)5-1)9-11-35-17-23-45-31-37(19-25-43(45)29-35)13-14-38-20-26-44-30-36(18-24-46(44)32-38)12-10-34-16-22-40-6-2-4-8-42(40)28-34/h1-8,13-32H/b14-13+
InChIKeyBJIQXNWOTIHSCG-BUHFOSPRSA-N
MW580.73 g/mol
LogP11.27
Rot. Bonds2

About 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene

2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene (PubChem CID 59413225) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
PubChem CID59413225
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESC(#Cc1ccc2cc(/C=C/c3ccc4cc(C#Cc5ccc6ccccc6c5)ccc4c3)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C46H28/c1-3-7-41-27-33(15-21-39(41)5-1)9-11-35-17-23-45-31-37(19-25-43(45)29-35)13-14-38-20-26-44-30-36(18-24-46(44)32-38)12-10-34-16-22-40-6-2-4-8-42(40)28-34/h1-8,13-32H/b14-13+
InChIKeyBJIQXNWOTIHSCG-BUHFOSPRSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 511.27
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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Related Compounds

2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
CID 59221386
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674
2-[(E)-4-phenylbut-3-en-1-ynyl]naphthalene
CID 102390272
9,10-bis(2-naphthalen-2-ylethynyl)anthracene
CID 101489340
2-(2-phenylethynyl)anthracene
CID 143875510
2-naphthalen-2-ylethenol
CID 67195423
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene?
The IUPAC name of 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene (CID 59413225) is 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene.
What is the SMILES notation for 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene?
The canonical SMILES for 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene is C(#Cc1ccc2cc(/C=C/c3ccc4cc(C#Cc5ccc6ccccc6c5)ccc4c3)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene?
The InChIKey is BJIQXNWOTIHSCG-BUHFOSPRSA-N. The full InChI is InChI=1S/C46H28/c1-3-7-41-27-33(15-21-39(41)5-1)9-11-35-17-23-45-31-37(19-25-43(45)29-35)13-14-38-20-26-44-30-36(18-24-46(44)32-38)12-10-34-16-22-40-6-2-4-8-42(40)28-34/h1-8,13-32H/b14-13+.
What are the key properties of 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene?
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene has a molecular weight of 580.73 g/mol, XLogP of 11.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene is sourced from PubChem (CID 59413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).