(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene

C25H22 — CID 178113127

IUPAC(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene
SMILESC=C/C=c1/cc2cc3cc(C=C)c(C=C)cc3cc2c/c1=C/C=C\C
InChIInChI=1S/C25H22/c1-5-9-11-21-15-25-17-23-13-19(8-4)18(7-3)12-22(23)16-24(25)14-20(21)10-6-2/h5-17H,2-4H2,1H3/b9-5-,20-10-,21-11-
InChIKeyWOVFVTPWOZHSPJ-SGOMYGENSA-N
MW322.45 g/mol
LogP5.60
Rot. Bonds4

About (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene

(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene (PubChem CID 178113127) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene.

Molecular Properties

Compound Name(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene
PubChem CID178113127
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene
SMILESC=C/C=c1/cc2cc3cc(C=C)c(C=C)cc3cc2c/c1=C/C=C\C
InChIInChI=1S/C25H22/c1-5-9-11-21-15-25-17-23-13-19(8-4)18(7-3)12-22(23)16-24(25)14-20(21)10-6-2/h5-17H,2-4H2,1H3/b9-5-,20-10-,21-11-
InChIKeyWOVFVTPWOZHSPJ-SGOMYGENSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene?
The IUPAC name of (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene (CID 178113127) is (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene.
What is the SMILES notation for (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene?
The canonical SMILES for (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene is C=C/C=c1/cc2cc3cc(C=C)c(C=C)cc3cc2c/c1=C/C=C\C.
What is the InChIKey of (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene?
The InChIKey is WOVFVTPWOZHSPJ-SGOMYGENSA-N. The full InChI is InChI=1S/C25H22/c1-5-9-11-21-15-25-17-23-13-19(8-4)18(7-3)12-22(23)16-24(25)14-20(21)10-6-2/h5-17H,2-4H2,1H3/b9-5-,20-10-,21-11-.
What are the key properties of (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene?
(2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene has a molecular weight of 322.45 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-[(Z)-but-2-enylidene]-6,7-bis(ethenyl)-3-prop-2-enylideneanthracene is sourced from PubChem (CID 178113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).