[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene

C18H12Br2 — CID 53381218

IUPAC[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene
SMILESBrC1=C(Br)C(=C\c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C18H12Br2/c19-17-15(11-13-7-3-1-4-8-13)16(18(17)20)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12-
InChIKeyNOWHNAKJWHBXLS-NFLUSIDLSA-N
MW388.10 g/mol
LogP6.17
Rot. Bonds2

About [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene

[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene (PubChem CID 53381218) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene.

Molecular Properties

Compound Name[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene
PubChem CID53381218
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene
SMILESBrC1=C(Br)C(=C\c2ccccc2)/C1=C/c1ccccc1
InChIInChI=1S/C18H12Br2/c19-17-15(11-13-7-3-1-4-8-13)16(18(17)20)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12-
InChIKeyNOWHNAKJWHBXLS-NFLUSIDLSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.10
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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[4-benzylidene-2,3-bis(2-phenylethynyl)cyclobut-2-en-1-ylidene]methylbenzene
CID 135017788
2,4-dibenzylidene-1,3-dithietane
CID 101088005
9-benzylidene-2,7-diiodofluorene
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3-benzylidene-4-bromo-1-methylindol-2-one
CID 141287894
9-benzylidene-2,7-dimethylfluorene;ethane
CID 91037957
3-benzylidene-4-methylidenepyrrolidine-2,5-dione
CID 88787558
(5E)-5-benzylidene-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 1375968
9-benzylidene-3-methylindeno[2,1-c]pyridine
CID 1427170
5-benzylidene-3-bromothiophen-2-one
CID 67293551

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene?
The IUPAC name of [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene (CID 53381218) is [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene.
What is the SMILES notation for [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene?
The canonical SMILES for [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene is BrC1=C(Br)C(=C\c2ccccc2)/C1=C/c1ccccc1.
What is the InChIKey of [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene?
The InChIKey is NOWHNAKJWHBXLS-NFLUSIDLSA-N. The full InChI is InChI=1S/C18H12Br2/c19-17-15(11-13-7-3-1-4-8-13)16(18(17)20)12-14-9-5-2-6-10-14/h1-12H/b15-11-,16-12-.
What are the key properties of [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene?
[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene has a molecular weight of 388.10 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene is sourced from PubChem (CID 53381218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).