N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide

C31H29NO — CID 175507530

IUPACN-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO/c1-31(2,3)32-30(33)28-21-13-12-20-27(28)26-19-11-10-18-25(26)22-29(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-22H,1-3H3,(H,32,33)
InChIKeyMZMXYNITMVOCNS-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.47
Rot. Bonds5

About N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide

N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide (PubChem CID 175507530) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide
PubChem CID175507530
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC NameN-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1ccccc1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO/c1-31(2,3)32-30(33)28-21-13-12-20-27(28)26-19-11-10-18-25(26)22-29(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-22H,1-3H3,(H,32,33)
InChIKeyMZMXYNITMVOCNS-UHFFFAOYSA-N
XLogP7.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide?
The IUPAC name of N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide (CID 175507530) is N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide?
The canonical SMILES for N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide is CC(C)(C)NC(=O)c1ccccc1-c1ccccc1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide?
The InChIKey is MZMXYNITMVOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO/c1-31(2,3)32-30(33)28-21-13-12-20-27(28)26-19-11-10-18-25(26)22-29(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-22H,1-3H3,(H,32,33).
What are the key properties of N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide?
N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide is sourced from PubChem (CID 175507530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).