4-tert-butyl-2-methyl-5-phenyldiazaphosphole

C13H17N2P — CID 23414054

IUPAC4-tert-butyl-2-methyl-5-phenyldiazaphosphole
SMILESCn1nc(-c2ccccc2)c(C(C)(C)C)p1
InChIInChI=1S/C13H17N2P/c1-13(2,3)12-11(14-15(4)16-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyWLBFPZTZYCELSE-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.96
Rot. Bonds1

About 4-tert-butyl-2-methyl-5-phenyldiazaphosphole

4-tert-butyl-2-methyl-5-phenyldiazaphosphole (PubChem CID 23414054) has the molecular formula C13H17N2P and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-5-phenyldiazaphosphole.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-5-phenyldiazaphosphole
PubChem CID23414054
Molecular FormulaC13H17N2P
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name4-tert-butyl-2-methyl-5-phenyldiazaphosphole
SMILESCn1nc(-c2ccccc2)c(C(C)(C)C)p1
InChIInChI=1S/C13H17N2P/c1-13(2,3)12-11(14-15(4)16-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyWLBFPZTZYCELSE-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,5-diphenyltriazole
CID 12207436
4-Tert-butyl-5-methyl-2-phenyldiazaphosphole
CID 85577960
5-Methyl-4-phenylselenadiazole
CID 134897569
t-Butylphenyl-1,2,3-triazole
CID 137365486
4-(2-Fluorophenyl)-2,5-dimethyltriazole
CID 67563592
4-(4-Fluorophenyl)-2,5-dimethyltriazole
CID 68339037
2-Ethyl-4,5-diphenyl-2H-1,2,3-triazole
CID 12207437
4-(Cyclohexen-1-yl)-5-phenyl-2-prop-2-enyltriazole
CID 101960889
4-Phenyl-5-(1-phenylethenyl)-2-prop-2-enyltriazole
CID 139251520
4-Methyl-5-phenyl-2-(1-phenylprop-1-en-1-yl)-2h-1,2,3diazaphosphole
CID 156905651
2-Pent-4-enyl-4,5-diphenyltriazole
CID 329767
4,5-Diphenyl-2-propan-2-yltriazole
CID 12207438

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-5-phenyldiazaphosphole?
The IUPAC name of 4-tert-butyl-2-methyl-5-phenyldiazaphosphole (CID 23414054) is 4-tert-butyl-2-methyl-5-phenyldiazaphosphole.
What is the SMILES notation for 4-tert-butyl-2-methyl-5-phenyldiazaphosphole?
The canonical SMILES for 4-tert-butyl-2-methyl-5-phenyldiazaphosphole is Cn1nc(-c2ccccc2)c(C(C)(C)C)p1.
What is the InChIKey of 4-tert-butyl-2-methyl-5-phenyldiazaphosphole?
The InChIKey is WLBFPZTZYCELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2P/c1-13(2,3)12-11(14-15(4)16-12)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 4-tert-butyl-2-methyl-5-phenyldiazaphosphole?
4-tert-butyl-2-methyl-5-phenyldiazaphosphole has a molecular weight of 232.27 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-5-phenyldiazaphosphole is sourced from PubChem (CID 23414054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).