1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene

C120H88 — CID 139196261

IUPAC1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
SMILESC(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/4C30H22/c4*1-3-13-29-25(7-1)9-5-11-27(29)21-19-23-15-17-24(18-16-23)20-22-28-12-6-10-26-8-2-4-14-30(26)28/h4*1-22H/b4*21-19+,22-20+
InChIKeyZUZSNKSTOWUNQP-PEJRWCAVSA-N
MW1530.02 g/mol
LogP33.34
Rot. Bonds16

About 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene

1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene (PubChem CID 139196261) has the molecular formula C120H88 and a molecular weight of 1530.02 g/mol. Its IUPAC name is 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
PubChem CID139196261
Molecular FormulaC120H88
Molecular Weight1530.02 g/mol
Exact Mass1528.69
IUPAC Name1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
SMILESC(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/4C30H22/c4*1-3-13-29-25(7-1)9-5-11-27(29)21-19-23-15-17-24(18-16-23)20-22-28-12-6-10-26-8-2-4-14-30(26)28/h4*1-22H/b4*21-19+,22-20+
InChIKeyZUZSNKSTOWUNQP-PEJRWCAVSA-N
XLogP33.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001530.02
LogP ≤ 533.34
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 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene (CID 139196261) is 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene is C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is ZUZSNKSTOWUNQP-PEJRWCAVSA-N. The full InChI is InChI=1S/4C30H22/c4*1-3-13-29-25(7-1)9-5-11-27(29)21-19-23-15-17-24(18-16-23)20-22-28-12-6-10-26-8-2-4-14-30(26)28/h4*1-22H/b4*21-19+,22-20+.
What are the key properties of 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene?
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 1530.02 g/mol, XLogP of 33.34, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 139196261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).