(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide

C23H24NOP — CID 10915400

IUPAC(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide
SMILESCC(C)(C)N1[C@@H](c2ccccc2)c2ccccc2[P@]1(=O)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-23(2,3)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)26(24,25)19-14-8-5-9-15-19/h4-17,22H,1-3H3/t22-,26+/m0/s1
InChIKeyWWOYQKACIJSUKA-BKMJKUGQSA-N
MW361.43 g/mol
LogP5.12
Rot. Bonds2

About (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide

(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide (PubChem CID 10915400) has the molecular formula C23H24NOP and a molecular weight of 361.43 g/mol. Its IUPAC name is (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide.

Molecular Properties

Compound Name(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide
PubChem CID10915400
Molecular FormulaC23H24NOP
Molecular Weight361.43 g/mol
Exact Mass361.16
IUPAC Name(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide
SMILESCC(C)(C)N1[C@@H](c2ccccc2)c2ccccc2[P@]1(=O)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-23(2,3)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)26(24,25)19-14-8-5-9-15-19/h4-17,22H,1-3H3/t22-,26+/m0/s1
InChIKeyWWOYQKACIJSUKA-BKMJKUGQSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.12
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

(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
CID 23420649
(S)-[(1R,3S,3aR,6R)-2-tert-butyl-1-oxo-1,3-diphenyl-3a,6-dihydro-3H-2,1λ5-benzazaphosphol-6-yl]-phenylmethanol
CID 11081169
(1R,3S,3aR,7aR)-2-tert-butyl-7a-methyl-1,3-diphenyl-3,3a-dihydro-2,1lambda5-benzazaphosphole 1-oxide
CID 11025239
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049
(3R)-3-[(2S,4R,5S)-3-tert-butyl-2-oxo-4,5-diphenyl-1,3,2λ5-oxazaphospholidin-2-yl]butan-2-one
CID 139063841
1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
CID 102410178
1-tert-butyl-4-phenylpiperidine-2,6-dione
CID 59551400
(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane
CID 102489726
(1S,3R,3aS,6S)-2,6-dimethyl-1,3-diphenyl-3a,6-dihydro-3H-2,1λ5-benzazaphosphole 1-oxide
CID 102017280
1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
CID 174831246
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide?
The IUPAC name of (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide (CID 10915400) is (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide.
What is the SMILES notation for (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide?
The canonical SMILES for (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide is CC(C)(C)N1[C@@H](c2ccccc2)c2ccccc2[P@]1(=O)c1ccccc1.
What is the InChIKey of (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide?
The InChIKey is WWOYQKACIJSUKA-BKMJKUGQSA-N. The full InChI is InChI=1S/C23H24NOP/c1-23(2,3)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)26(24,25)19-14-8-5-9-15-19/h4-17,22H,1-3H3/t22-,26+/m0/s1.
What are the key properties of (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide?
(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide has a molecular weight of 361.43 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide is sourced from PubChem (CID 10915400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).