N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide

C50H38N4O2 — CID 4641253

IUPACN-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H38N4O2/c55-49(46(37-16-6-1-7-17-37)38-18-8-2-9-19-38)51-42-30-26-35(27-31-42)44-34-45(54-48(53-44)41-24-14-5-15-25-41)36-28-32-43(33-29-36)52-50(56)47(39-20-10-3-11-21-39)40-22-12-4-13-23-40/h1-34,46-47H,(H,51,55)(H,52,56)
InChIKeyCLIIBDHKONVORU-UHFFFAOYSA-N
MW726.88 g/mol
LogP11.02
Rot. Bonds11

About N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide

N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 4641253) has the molecular formula C50H38N4O2 and a molecular weight of 726.88 g/mol. Its IUPAC name is N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
PubChem CID4641253
Molecular FormulaC50H38N4O2
Molecular Weight726.88 g/mol
Exact Mass726.30
IUPAC NameN-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H38N4O2/c55-49(46(37-16-6-1-7-17-37)38-18-8-2-9-19-38)51-42-30-26-35(27-31-42)44-34-45(54-48(53-44)41-24-14-5-15-25-41)36-28-32-43(33-29-36)52-50(56)47(39-20-10-3-11-21-39)40-22-12-4-13-23-40/h1-34,46-47H,(H,51,55)(H,52,56)
InChIKeyCLIIBDHKONVORU-UHFFFAOYSA-N
XLogP11.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 511.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 23856573
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
CID 41089435
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
CID 7532343
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide (CID 4641253) is N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide is O=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is CLIIBDHKONVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O2/c55-49(46(37-16-6-1-7-17-37)38-18-8-2-9-19-38)51-42-30-26-35(27-31-42)44-34-45(54-48(53-44)41-24-14-5-15-25-41)36-28-32-43(33-29-36)52-50(56)47(39-20-10-3-11-21-39)40-22-12-4-13-23-40/h1-34,46-47H,(H,51,55)(H,52,56).
What are the key properties of N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide?
N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 726.88 g/mol, XLogP of 11.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4641253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).