(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide

C39H38NOPS — CID 139187178

IUPAC(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)[S@](=O)C(C)(C)C
InChIInChI=1S/C39H38NOPS/c1-39(2,3)43(41)40(4)37(28-42(31-19-7-5-8-20-31)32-21-9-6-10-22-32)35-25-15-16-26-36(35)38-33-23-13-11-17-29(33)27-30-18-12-14-24-34(30)38/h5-27,37H,28H2,1-4H3/t37-,43-/m1/s1
InChIKeySLXVYPHFSDYYON-GJSZZFLHSA-N
MW599.78 g/mol
LogP9.23
Rot. Bonds8

About (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide

(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 139187178) has the molecular formula C39H38NOPS and a molecular weight of 599.78 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID139187178
Molecular FormulaC39H38NOPS
Molecular Weight599.78 g/mol
Exact Mass599.24
IUPAC Name(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)[S@](=O)C(C)(C)C
InChIInChI=1S/C39H38NOPS/c1-39(2,3)43(41)40(4)37(28-42(31-19-7-5-8-20-31)32-21-9-6-10-22-32)35-25-15-16-26-36(35)38-33-23-13-11-17-29(33)27-30-18-12-14-24-34(30)38/h5-27,37H,28H2,1-4H3/t37-,43-/m1/s1
InChIKeySLXVYPHFSDYYON-GJSZZFLHSA-N
XLogP9.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propane-2-sulfinamide
CID 134843066
(R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
CID 166445166
Trimethyl-[[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methyl]azanium
CID 71579894
(2E)-N-benzyl-N-fluoro-1-phenyl-3-[3-(3-triphenylen-2-ylphenyl)phenyl]penta-2,4-dien-1-amine
CID 144803291
N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide
CID 12867214
(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 23656220
(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 46862687
(1R)-N-dimethylphosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine
CID 71507787
(1R)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1R)-1-naphthalen-2-ylethyl]ethanamine
CID 71578770
(11bR)-4-(2-(Diphenylphosphanyl)benzyl)-4-methyl-2,6-di(naphthalen-2-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-4-ium bromide
CID 71768019
(11bR)-4-(2-(Diphenylphosphino)benzyl)-4-methyl-2,6-diphenyl-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-4-ium bromide
CID 71768042
(1S)-N-dibutylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 72701656

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide (CID 139187178) is (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is SLXVYPHFSDYYON-GJSZZFLHSA-N. The full InChI is InChI=1S/C39H38NOPS/c1-39(2,3)43(41)40(4)37(28-42(31-19-7-5-8-20-31)32-21-9-6-10-22-32)35-25-15-16-26-36(35)38-33-23-13-11-17-29(33)27-30-18-12-14-24-34(30)38/h5-27,37H,28H2,1-4H3/t37-,43-/m1/s1.
What are the key properties of (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 599.78 g/mol, XLogP of 9.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 139187178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).