3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane

C30H27BrN2 — CID 145257325

IUPAC3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
SMILESC.C=C(/N=C(\N=C(/C)c1ccccc1)c1cc(Br)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C29H23BrN2.CH4/c1-21(23-12-6-3-7-13-23)31-29(32-22(2)24-14-8-4-9-15-24)27-18-26(19-28(30)20-27)25-16-10-5-11-17-25;/h3-20H,1H2,2H3;1H4/b31-29-,32-22+;
InChIKeyJZGVGKQWBBNDRP-CAZIUKMPSA-N
MW495.46 g/mol
LogP8.68
Rot. Bonds5

About 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane

3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane (PubChem CID 145257325) has the molecular formula C30H27BrN2 and a molecular weight of 495.46 g/mol. Its IUPAC name is 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane.

Molecular Properties

Compound Name3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
PubChem CID145257325
Molecular FormulaC30H27BrN2
Molecular Weight495.46 g/mol
Exact Mass494.14
IUPAC Name3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
SMILESC.C=C(/N=C(\N=C(/C)c1ccccc1)c1cc(Br)cc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C29H23BrN2.CH4/c1-21(23-12-6-3-7-13-23)31-29(32-22(2)24-14-8-4-9-15-24)27-18-26(19-28(30)20-27)25-16-10-5-11-17-25;/h3-20H,1H2,2H3;1H4/b31-29-,32-22+;
InChIKeyJZGVGKQWBBNDRP-CAZIUKMPSA-N
XLogP8.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane?
The IUPAC name of 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane (CID 145257325) is 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane.
What is the SMILES notation for 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane?
The canonical SMILES for 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane is C.C=C(/N=C(\N=C(/C)c1ccccc1)c1cc(Br)cc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane?
The InChIKey is JZGVGKQWBBNDRP-CAZIUKMPSA-N. The full InChI is InChI=1S/C29H23BrN2.CH4/c1-21(23-12-6-3-7-13-23)31-29(32-22(2)24-14-8-4-9-15-24)27-18-26(19-28(30)20-27)25-16-10-5-11-17-25;/h3-20H,1H2,2H3;1H4/b31-29-,32-22+;.
What are the key properties of 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane?
3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane has a molecular weight of 495.46 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane is sourced from PubChem (CID 145257325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).