9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene

C20H12Br4 — CID 145053371

IUPAC9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene
SMILESC=Cc1cc2c(=C(Br)Br)c3ccccc3c(=C(Br)Br)c2cc1C=C
InChIInChI=1S/C20H12Br4/c1-3-11-9-15-16(10-12(11)4-2)18(20(23)24)14-8-6-5-7-13(14)17(15)19(21)22/h3-10H,1-2H2
InChIKeyFOOSPCTVBPSAOM-UHFFFAOYSA-N
MW571.93 g/mol
LogP6.99
Rot. Bonds2

About 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene

9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene (PubChem CID 145053371) has the molecular formula C20H12Br4 and a molecular weight of 571.93 g/mol. Its IUPAC name is 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene
PubChem CID145053371
Molecular FormulaC20H12Br4
Molecular Weight571.93 g/mol
Exact Mass567.77
IUPAC Name9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene
SMILESC=Cc1cc2c(=C(Br)Br)c3ccccc3c(=C(Br)Br)c2cc1C=C
InChIInChI=1S/C20H12Br4/c1-3-11-9-15-16(10-12(11)4-2)18(20(23)24)14-8-6-5-7-13(14)17(15)19(21)22/h3-10H,1-2H2
InChIKeyFOOSPCTVBPSAOM-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.93
LogP ≤ 56.99
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 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene?
The IUPAC name of 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene (CID 145053371) is 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene.
What is the SMILES notation for 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene?
The canonical SMILES for 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene is C=Cc1cc2c(=C(Br)Br)c3ccccc3c(=C(Br)Br)c2cc1C=C.
What is the InChIKey of 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene?
The InChIKey is FOOSPCTVBPSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br4/c1-3-11-9-15-16(10-12(11)4-2)18(20(23)24)14-8-6-5-7-13(14)17(15)19(21)22/h3-10H,1-2H2.
What are the key properties of 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene?
9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene has a molecular weight of 571.93 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene is sourced from PubChem (CID 145053371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).