1-[2-[(E)-2-phenylethenyl]phenyl]anthracene

C28H20 — CID 22052929

IUPAC1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
SMILESC(=C/c1ccccc1-c1cccc2cc3ccccc3cc12)\c1ccccc1
InChIInChI=1S/C28H20/c1-2-9-21(10-3-1)17-18-22-11-6-7-15-26(22)27-16-8-14-25-19-23-12-4-5-13-24(23)20-28(25)27/h1-20H/b18-17+
InChIKeyDNDHJWYDZBZTRY-ISLYRVAYSA-N
MW356.47 g/mol
LogP7.83
Rot. Bonds3

About 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene

1-[2-[(E)-2-phenylethenyl]phenyl]anthracene (PubChem CID 22052929) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene.

Molecular Properties

Compound Name1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
PubChem CID22052929
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
SMILESC(=C/c1ccccc1-c1cccc2cc3ccccc3cc12)\c1ccccc1
InChIInChI=1S/C28H20/c1-2-9-21(10-3-1)17-18-22-11-6-7-15-26(22)27-16-8-14-25-19-23-12-4-5-13-24(23)20-28(25)27/h1-20H/b18-17+
InChIKeyDNDHJWYDZBZTRY-ISLYRVAYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038
1-(2-phenylphenyl)anthracene
CID 21435778
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
hydron;1-phenylanthracene
CID 174351162
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
1-(2,3-diphenylphenyl)anthracene
CID 151584978
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
9,10-di(anthracen-1-yl)anthracene
CID 58645093
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene?
The IUPAC name of 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene (CID 22052929) is 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene.
What is the SMILES notation for 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene?
The canonical SMILES for 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene is C(=C/c1ccccc1-c1cccc2cc3ccccc3cc12)\c1ccccc1.
What is the InChIKey of 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene?
The InChIKey is DNDHJWYDZBZTRY-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H20/c1-2-9-21(10-3-1)17-18-22-11-6-7-15-26(22)27-16-8-14-25-19-23-12-4-5-13-24(23)20-28(25)27/h1-20H/b18-17+.
What are the key properties of 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene?
1-[2-[(E)-2-phenylethenyl]phenyl]anthracene has a molecular weight of 356.47 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-phenylethenyl]phenyl]anthracene is sourced from PubChem (CID 22052929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).