9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene

C24H18 — CID 101210227

IUPAC9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
SMILESC(=C\c1c2ccccc2cc2ccccc12)\C=C\c1ccccc1
InChIInChI=1S/C24H18/c1-2-10-19(11-3-1)12-4-7-17-24-22-15-8-5-13-20(22)18-21-14-6-9-16-23(21)24/h1-18H/b12-4+,17-7-
InChIKeyGDGDGLWYPXVKRS-XBUOGHCQSA-N
MW306.41 g/mol
LogP6.72
Rot. Bonds3

About 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene

9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene (PubChem CID 101210227) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene.

Molecular Properties

Compound Name9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
PubChem CID101210227
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
SMILESC(=C\c1c2ccccc2cc2ccccc12)\C=C\c1ccccc1
InChIInChI=1S/C24H18/c1-2-10-19(11-3-1)12-4-7-17-24-22-15-8-5-13-20(22)18-21-14-6-9-16-23(21)24/h1-18H/b12-4+,17-7-
InChIKeyGDGDGLWYPXVKRS-XBUOGHCQSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(3E,5E)-6-anthracen-9-ylhexa-3,5-dien-2-one
CID 15507546
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391
4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
CID 5378650
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
CID 102288508
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261

Frequently Asked Questions

What is the IUPAC name of 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene?
The IUPAC name of 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene (CID 101210227) is 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene.
What is the SMILES notation for 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene?
The canonical SMILES for 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene is C(=C\c1c2ccccc2cc2ccccc12)\C=C\c1ccccc1.
What is the InChIKey of 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene?
The InChIKey is GDGDGLWYPXVKRS-XBUOGHCQSA-N. The full InChI is InChI=1S/C24H18/c1-2-10-19(11-3-1)12-4-7-17-24-22-15-8-5-13-20(22)18-21-14-6-9-16-23(21)24/h1-18H/b12-4+,17-7-.
What are the key properties of 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene?
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene has a molecular weight of 306.41 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene is sourced from PubChem (CID 101210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).