2-(1,2-dinaphthalen-2-ylethenyl)naphthalene

C32H22 — CID 171662067

IUPAC2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
SMILESC(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H22/c1-4-10-27-19-23(13-14-24(27)7-1)20-32(30-17-15-25-8-2-5-11-28(25)21-30)31-18-16-26-9-3-6-12-29(26)22-31/h1-22H
InChIKeyIFKVUXRLEIMHJW-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.74
Rot. Bonds3

About 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene

2-(1,2-dinaphthalen-2-ylethenyl)naphthalene (PubChem CID 171662067) has the molecular formula C32H22 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene.

Molecular Properties

Compound Name2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
PubChem CID171662067
Molecular FormulaC32H22
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Name2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
SMILESC(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H22/c1-4-10-27-19-23(13-14-24(27)7-1)20-32(30-17-15-25-8-2-5-11-28(25)21-30)31-18-16-26-9-3-6-12-29(26)22-31/h1-22H
InChIKeyIFKVUXRLEIMHJW-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.74
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-(1,2-dinaphthalen-2-ylethenyl)naphthalene?
The IUPAC name of 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene (CID 171662067) is 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene.
What is the SMILES notation for 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene?
The canonical SMILES for 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene is C(=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene?
The InChIKey is IFKVUXRLEIMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22/c1-4-10-27-19-23(13-14-24(27)7-1)20-32(30-17-15-25-8-2-5-11-28(25)21-30)31-18-16-26-9-3-6-12-29(26)22-31/h1-22H.
What are the key properties of 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene?
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene has a molecular weight of 406.53 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dinaphthalen-2-ylethenyl)naphthalene is sourced from PubChem (CID 171662067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).