4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide

C26H22NOP — CID 13438783

IUPAC4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
SMILESCc1ccc(C(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22NOP/c1-21-17-19-22(20-18-21)26(28)27-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyMPVOEIIKBZIQPG-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.31
Rot. Bonds4

About 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide

4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide (PubChem CID 13438783) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide.

Molecular Properties

Compound Name4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
PubChem CID13438783
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
SMILESCc1ccc(C(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22NOP/c1-21-17-19-22(20-18-21)26(28)27-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyMPVOEIIKBZIQPG-UHFFFAOYSA-N
XLogP5.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-diphenyl-lambda5-phosphanylidene]benzamide
CID 14322803
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
dimethyl (E)-2-[(Z)-2-amino-1-[benzoylimino(diphenyl)-λ5-phosphanyl]-2-(4-methylphenyl)ethenyl]but-2-enedioate
CID 10438157
ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
CID 11143605
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
CID 11452277
carbonic acid;1,4-xylene
CID 89415214
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide?
The IUPAC name of 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide (CID 13438783) is 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide.
What is the SMILES notation for 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide?
The canonical SMILES for 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide is Cc1ccc(C(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide?
The InChIKey is MPVOEIIKBZIQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOP/c1-21-17-19-22(20-18-21)26(28)27-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3.
What are the key properties of 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide?
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide has a molecular weight of 395.44 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide is sourced from PubChem (CID 13438783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).