2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene

C48H34 — CID 72565680

IUPAC2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESC(=Cc1ccc2cc(C=Cc3ccc4cc(C=C(c5ccccc5)c5ccccc5)ccc4c3)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C48H34/c1-3-10-41(11-4-1)48(42-12-5-2-6-13-42)34-39-23-28-46-32-38(22-27-47(46)33-39)18-17-37-21-26-44-30-36(20-25-45(44)31-37)16-15-35-19-24-40-9-7-8-14-43(40)29-35/h1-34H
InChIKeyHBHDJUGEMUGQNO-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.08
Rot. Bonds7

About 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene

2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene (PubChem CID 72565680) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
PubChem CID72565680
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
SMILESC(=Cc1ccc2cc(C=Cc3ccc4cc(C=C(c5ccccc5)c5ccccc5)ccc4c3)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C48H34/c1-3-10-41(11-4-1)48(42-12-5-2-6-13-42)34-39-23-28-46-32-38(22-27-47(46)33-39)18-17-37-21-26-44-30-36(20-25-45(44)31-37)16-15-35-19-24-40-9-7-8-14-43(40)29-35/h1-34H
InChIKeyHBHDJUGEMUGQNO-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene?
The IUPAC name of 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene (CID 72565680) is 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene?
The canonical SMILES for 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene is C(=Cc1ccc2cc(C=Cc3ccc4cc(C=C(c5ccccc5)c5ccccc5)ccc4c3)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene?
The InChIKey is HBHDJUGEMUGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-3-10-41(11-4-1)48(42-12-5-2-6-13-42)34-39-23-28-46-32-38(22-27-47(46)33-39)18-17-37-21-26-44-30-36(20-25-45(44)31-37)16-15-35-19-24-40-9-7-8-14-43(40)29-35/h1-34H.
What are the key properties of 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene?
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene has a molecular weight of 610.80 g/mol, XLogP of 13.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene is sourced from PubChem (CID 72565680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).