1-(2,2-diphenylethenyl)-2-isocyanobenzene

C21H15N — CID 122188165

IUPAC1-(2,2-diphenylethenyl)-2-isocyanobenzene
SMILES[C-]#[N+]c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N/c1-22-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H
InChIKeyLALBIHPQBCUPBP-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.83
Rot. Bonds3

About 1-(2,2-diphenylethenyl)-2-isocyanobenzene

1-(2,2-diphenylethenyl)-2-isocyanobenzene (PubChem CID 122188165) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-2-isocyanobenzene.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)-2-isocyanobenzene
PubChem CID122188165
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name1-(2,2-diphenylethenyl)-2-isocyanobenzene
SMILES[C-]#[N+]c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N/c1-22-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H
InChIKeyLALBIHPQBCUPBP-UHFFFAOYSA-N
XLogP5.83
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 7015
CID 7015
CID 10292
CID 10292
CID 33182
CID 33182
CID 5284347
CID 5284347
CID 15075
CID 15075
CID 219140
CID 219140
CID 14580
CID 14580
CID 62450
CID 62450
CID 104949
CID 104949
CID 68356
CID 68356
CID 16122
CID 16122
CID 98690
CID 98690

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)-2-isocyanobenzene?
The IUPAC name of 1-(2,2-diphenylethenyl)-2-isocyanobenzene (CID 122188165) is 1-(2,2-diphenylethenyl)-2-isocyanobenzene.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-2-isocyanobenzene?
The canonical SMILES for 1-(2,2-diphenylethenyl)-2-isocyanobenzene is [C-]#[N+]c1ccccc1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylethenyl)-2-isocyanobenzene?
The InChIKey is LALBIHPQBCUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c1-22-21-15-9-8-14-19(21)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H.
What are the key properties of 1-(2,2-diphenylethenyl)-2-isocyanobenzene?
1-(2,2-diphenylethenyl)-2-isocyanobenzene has a molecular weight of 281.36 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-2-isocyanobenzene is sourced from PubChem (CID 122188165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).