(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial

C25H18S — CID 129066637

IUPAC(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
SMILESC=C(/C=C\C=S)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H18S/c1-18(10-9-17-26)24-20-13-5-7-15-22(20)25(19-11-3-2-4-12-19)23-16-8-6-14-21(23)24/h2-17H,1H2/b10-9-
InChIKeyJXKCFTMSQAUEOS-KTKRTIGZSA-N
MW350.49 g/mol
LogP7.23
Rot. Bonds4

About (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial

(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial (PubChem CID 129066637) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial.

Molecular Properties

Compound Name(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
PubChem CID129066637
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
SMILESC=C(/C=C\C=S)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H18S/c1-18(10-9-17-26)24-20-13-5-7-15-22(20)25(19-11-3-2-4-12-19)23-16-8-6-14-21(23)24/h2-17H,1H2/b10-9-
InChIKeyJXKCFTMSQAUEOS-KTKRTIGZSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 89078722
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
4-ethyl-3-[(3Z)-5-(10-phenylanthracen-9-yl)hexa-1,3,5-trien-2-yl]oxydibenzofuran
CID 122419026
10-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-9-naphthalen-2-yl-2-phenylanthracene
CID 58194233
ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine
CID 142353580
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
3-ethenyl-2-[1-(10-phenylanthracen-9-yl)ethenyl]-1-benzofuran
CID 175628427
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-iodo-10-phenylanthracene
CID 14958373
5,12-bis[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6,11-diphenyltetracene
CID 144761623
(4E)-4-[(2E,5Z)-3-methyl-4-methylidene-7-(10-phenylanthracen-9-yl)octa-2,5,7-trienylidene]-20-oxa-3-thiapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene
CID 130212716
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial?
The IUPAC name of (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial (CID 129066637) is (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial.
What is the SMILES notation for (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial?
The canonical SMILES for (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial is C=C(/C=C\C=S)c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial?
The InChIKey is JXKCFTMSQAUEOS-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H18S/c1-18(10-9-17-26)24-20-13-5-7-15-22(20)25(19-11-3-2-4-12-19)23-16-8-6-14-21(23)24/h2-17H,1H2/b10-9-.
What are the key properties of (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial?
(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial has a molecular weight of 350.49 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial is sourced from PubChem (CID 129066637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).