3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole

C22H35NP2 — CID 102253223

IUPAC3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole
SMILESCC(C)c1cccc(C(C)C)c1-n1pc(C(C)(C)C)pc1C(C)(C)C
InChIInChI=1S/C22H35NP2/c1-14(2)16-12-11-13-17(15(3)4)18(16)23-19(21(5,6)7)24-20(25-23)22(8,9)10/h11-15H,1-10H3
InChIKeySMWUXHYZQBREAH-UHFFFAOYSA-N
MW375.48 g/mol
LogP8.48
Rot. Bonds3

About 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole

3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole (PubChem CID 102253223) has the molecular formula C22H35NP2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole.

Molecular Properties

Compound Name3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole
PubChem CID102253223
Molecular FormulaC22H35NP2
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole
SMILESCC(C)c1cccc(C(C)C)c1-n1pc(C(C)(C)C)pc1C(C)(C)C
InChIInChI=1S/C22H35NP2/c1-14(2)16-12-11-13-17(15(3)4)18(16)23-19(21(5,6)7)24-20(25-23)22(8,9)10/h11-15H,1-10H3
InChIKeySMWUXHYZQBREAH-UHFFFAOYSA-N
XLogP8.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
CID 177472224
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanylidene]phosphane
CID 132942700
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole?
The IUPAC name of 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole (CID 102253223) is 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole.
What is the SMILES notation for 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole?
The canonical SMILES for 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole is CC(C)c1cccc(C(C)C)c1-n1pc(C(C)(C)C)pc1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole?
The InChIKey is SMWUXHYZQBREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NP2/c1-14(2)16-12-11-13-17(15(3)4)18(16)23-19(21(5,6)7)24-20(25-23)22(8,9)10/h11-15H,1-10H3.
What are the key properties of 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole?
3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole has a molecular weight of 375.48 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole is sourced from PubChem (CID 102253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).