(1-(131I)iodo-2,2-diphenylethenyl)benzene

C20H15I — CID 134933335

IUPAC(1-(131I)iodo-2,2-diphenylethenyl)benzene
SMILES[131I]C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15I/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H/i21+4
InChIKeyDVJCEGLTPUEWNX-TWYGLIRSSA-N
MW386.25 g/mol
LogP6.04
Rot. Bonds3

About (1-(131I)iodo-2,2-diphenylethenyl)benzene

(1-(131I)iodo-2,2-diphenylethenyl)benzene (PubChem CID 134933335) has the molecular formula C20H15I and a molecular weight of 386.25 g/mol. Its IUPAC name is (1-(131I)iodo-2,2-diphenylethenyl)benzene.

Molecular Properties

Compound Name(1-(131I)iodo-2,2-diphenylethenyl)benzene
PubChem CID134933335
Molecular FormulaC20H15I
Molecular Weight386.25 g/mol
Exact Mass386.02
IUPAC Name(1-(131I)iodo-2,2-diphenylethenyl)benzene
SMILES[131I]C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15I/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H/i21+4
InChIKeyDVJCEGLTPUEWNX-TWYGLIRSSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 56.04
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

phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
2,2-diphenylethene-1,1-diselenol
CID 175146391
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
2-benzhydrylidenepropane-1,3-diol
CID 174443788
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
styrene;1,2,2-triphenylethenylbenzene
CID 161183519
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
bis(N-phenylaniline);1,2,2-triphenylethenylbenzene
CID 159300087
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996

Frequently Asked Questions

What is the IUPAC name of (1-(131I)iodo-2,2-diphenylethenyl)benzene?
The IUPAC name of (1-(131I)iodo-2,2-diphenylethenyl)benzene (CID 134933335) is (1-(131I)iodo-2,2-diphenylethenyl)benzene.
What is the SMILES notation for (1-(131I)iodo-2,2-diphenylethenyl)benzene?
The canonical SMILES for (1-(131I)iodo-2,2-diphenylethenyl)benzene is [131I]C(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-(131I)iodo-2,2-diphenylethenyl)benzene?
The InChIKey is DVJCEGLTPUEWNX-TWYGLIRSSA-N. The full InChI is InChI=1S/C20H15I/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H/i21+4.
What are the key properties of (1-(131I)iodo-2,2-diphenylethenyl)benzene?
(1-(131I)iodo-2,2-diphenylethenyl)benzene has a molecular weight of 386.25 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-(131I)iodo-2,2-diphenylethenyl)benzene is sourced from PubChem (CID 134933335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).