1,2-diiodo-3-(2-phenylethenyl)benzene

C14H10I2 — CID 70372286

IUPAC1,2-diiodo-3-(2-phenylethenyl)benzene
SMILESIc1cccc(C=Cc2ccccc2)c1I
InChIInChI=1S/C14H10I2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-10H
InChIKeyWMVOVWKJLYLUGR-UHFFFAOYSA-N
MW432.04 g/mol
LogP5.07
Rot. Bonds2

About 1,2-diiodo-3-(2-phenylethenyl)benzene

1,2-diiodo-3-(2-phenylethenyl)benzene (PubChem CID 70372286) has the molecular formula C14H10I2 and a molecular weight of 432.04 g/mol. Its IUPAC name is 1,2-diiodo-3-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1,2-diiodo-3-(2-phenylethenyl)benzene
PubChem CID70372286
Molecular FormulaC14H10I2
Molecular Weight432.04 g/mol
Exact Mass431.89
IUPAC Name1,2-diiodo-3-(2-phenylethenyl)benzene
SMILESIc1cccc(C=Cc2ccccc2)c1I
InChIInChI=1S/C14H10I2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-10H
InChIKeyWMVOVWKJLYLUGR-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.04
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1-iodo-2-[(E)-2-(2-iodophenyl)ethenyl]benzene
CID 10812610
1-(2-phenylethenyl)biphenylene
CID 142709250
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-3-(2-phenylethenyl)benzene?
The IUPAC name of 1,2-diiodo-3-(2-phenylethenyl)benzene (CID 70372286) is 1,2-diiodo-3-(2-phenylethenyl)benzene.
What is the SMILES notation for 1,2-diiodo-3-(2-phenylethenyl)benzene?
The canonical SMILES for 1,2-diiodo-3-(2-phenylethenyl)benzene is Ic1cccc(C=Cc2ccccc2)c1I.
What is the InChIKey of 1,2-diiodo-3-(2-phenylethenyl)benzene?
The InChIKey is WMVOVWKJLYLUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 1,2-diiodo-3-(2-phenylethenyl)benzene?
1,2-diiodo-3-(2-phenylethenyl)benzene has a molecular weight of 432.04 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-3-(2-phenylethenyl)benzene is sourced from PubChem (CID 70372286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).