5-bromo-1-methylidene-2-phenylindene

C16H11Br — CID 101462800

IUPAC5-bromo-1-methylidene-2-phenylindene
SMILESC=C1C(c2ccccc2)=Cc2cc(Br)ccc21
InChIInChI=1S/C16H11Br/c1-11-15-8-7-14(17)9-13(15)10-16(11)12-5-3-2-4-6-12/h2-10H,1H2
InChIKeyPTDYZCIAXOUEAE-UHFFFAOYSA-N
MW283.17 g/mol
LogP5.02
Rot. Bonds1

About 5-bromo-1-methylidene-2-phenylindene

5-bromo-1-methylidene-2-phenylindene (PubChem CID 101462800) has the molecular formula C16H11Br and a molecular weight of 283.17 g/mol. Its IUPAC name is 5-bromo-1-methylidene-2-phenylindene.

Molecular Properties

Compound Name5-bromo-1-methylidene-2-phenylindene
PubChem CID101462800
Molecular FormulaC16H11Br
Molecular Weight283.17 g/mol
Exact Mass282.00
IUPAC Name5-bromo-1-methylidene-2-phenylindene
SMILESC=C1C(c2ccccc2)=Cc2cc(Br)ccc21
InChIInChI=1S/C16H11Br/c1-11-15-8-7-14(17)9-13(15)10-16(11)12-5-3-2-4-6-12/h2-10H,1H2
InChIKeyPTDYZCIAXOUEAE-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.17
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-9-methylidenefluorene
CID 89181639
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
(5-bromo-2-phenylphenyl)methanol
CID 59266499
5-bromo-N-methyl-2-phenylaniline
CID 69363671
7,10-dibromo-1,4-diphenyltriphenylene
CID 142691015
2-bromo-11-methylidenebenzo[b]fluorene
CID 142293502
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2-bromo-10-methylideneanthracen-9-one
CID 89197821
4-bromo-2-(chloromethyl)-1-phenylbenzene
CID 57057956
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
1-bromo-3-phenylbenzene
CID 16449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylidene-2-phenylindene?
The IUPAC name of 5-bromo-1-methylidene-2-phenylindene (CID 101462800) is 5-bromo-1-methylidene-2-phenylindene.
What is the SMILES notation for 5-bromo-1-methylidene-2-phenylindene?
The canonical SMILES for 5-bromo-1-methylidene-2-phenylindene is C=C1C(c2ccccc2)=Cc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methylidene-2-phenylindene?
The InChIKey is PTDYZCIAXOUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br/c1-11-15-8-7-14(17)9-13(15)10-16(11)12-5-3-2-4-6-12/h2-10H,1H2.
What are the key properties of 5-bromo-1-methylidene-2-phenylindene?
5-bromo-1-methylidene-2-phenylindene has a molecular weight of 283.17 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylidene-2-phenylindene is sourced from PubChem (CID 101462800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).