4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole

C18H17N2P — CID 156905651

IUPAC4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole
SMILESCC=C(c1ccccc1)n1nc(-c2ccccc2)c(C)p1
InChIInChI=1S/C18H17N2P/c1-3-17(15-10-6-4-7-11-15)20-19-18(14(2)21-20)16-12-8-5-9-13-16/h3-13H,1-2H3
InChIKeyPIMYQCVFUFZZHO-UHFFFAOYSA-N
MW292.32 g/mol
LogP5.35
Rot. Bonds3

About 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole

4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole (PubChem CID 156905651) has the molecular formula C18H17N2P and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole
PubChem CID156905651
Molecular FormulaC18H17N2P
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole
SMILESCC=C(c1ccccc1)n1nc(-c2ccccc2)c(C)p1
InChIInChI=1S/C18H17N2P/c1-3-17(15-10-6-4-7-11-15)20-19-18(14(2)21-20)16-12-8-5-9-13-16/h3-13H,1-2H3
InChIKeyPIMYQCVFUFZZHO-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.32
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Butyl-2-methyl-5-phenyl-2H-[1,2,3]diazaphosphole
CID 23414054
2-Methyl-4,5-diphenyltriazole
CID 12207436
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
3,6-Diphenyl-4-n-butylpyridazine
CID 123249171
5-Methyl-4-phenylselenadiazole
CID 134897569
2-Ethyl-4,5-diphenyl-2H-1,2,3-triazole
CID 12207437
2,5-Diphenyl-1,2,3-diazaarsole
CID 12489548
3,5-Diphenyltriazaphosphole
CID 14000517
2-Benzyl-4-(cyclohexen-1-yl)-5-phenyltriazole
CID 101960888
4-(Cyclohexen-1-yl)-5-phenyl-2-(1-phenylethyl)triazole
CID 101960890
4,5-Bis(4-tert-butylphenyl)selenadiazole
CID 134881671
4-(4-Tert-butylphenyl)-5-phenylselenadiazole
CID 134881695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole?
The IUPAC name of 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole (CID 156905651) is 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole.
What is the SMILES notation for 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole?
The canonical SMILES for 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole is CC=C(c1ccccc1)n1nc(-c2ccccc2)c(C)p1.
What is the InChIKey of 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole?
The InChIKey is PIMYQCVFUFZZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2P/c1-3-17(15-10-6-4-7-11-15)20-19-18(14(2)21-20)16-12-8-5-9-13-16/h3-13H,1-2H3.
What are the key properties of 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole?
4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole has a molecular weight of 292.32 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-(1-phenylprop-1-enyl)diazaphosphole is sourced from PubChem (CID 156905651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).