4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline

C34H43N3OP2 — CID 101490463

IUPAC4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline
SMILESCC(C)N(C(C)C)P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H43N3OP2/c1-26(2)37(27(3)4)40(38,32-22-19-28(20-23-32)35(5)6)34-24-21-29(36(7)8)25-33(34)39(30-15-11-9-12-16-30)31-17-13-10-14-18-31/h9-27H,1-8H3
InChIKeyXNNXYKASSDABTL-UHFFFAOYSA-N
MW571.69 g/mol
LogP5.92
Rot. Bonds10

About 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline (PubChem CID 101490463) has the molecular formula C34H43N3OP2 and a molecular weight of 571.69 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline
PubChem CID101490463
Molecular FormulaC34H43N3OP2
Molecular Weight571.69 g/mol
Exact Mass571.29
IUPAC Name4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline
SMILESCC(C)N(C(C)C)P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H43N3OP2/c1-26(2)37(27(3)4)40(38,32-22-19-28(20-23-32)35(5)6)34-24-21-29(36(7)8)25-33(34)39(30-15-11-9-12-16-30)31-17-13-10-14-18-31/h9-27H,1-8H3
InChIKeyXNNXYKASSDABTL-UHFFFAOYSA-N
XLogP5.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(dimethylamino)-2-diphenylphosphanyl-6-methylphenyl]-3-diphenylphosphanyl-N,N,5-trimethylaniline
CID 14113209
4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
CID 143644773
4-[(2-diphenylphosphanylphenyl)-dimethylgermyl]-N,N-dimethylaniline
CID 177499264
methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate
CID 102464983
rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamideborane hemihydrate
CID 139085237
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
CID 102023770
N,N-dimethylaniline
CID 70392672
N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 24891588
N-[(3-methoxyphenyl)-[5-methoxy-2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine
CID 175158397
4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline
CID 141200555
N,N-dimethylacetamide;triphenylphosphane
CID 88649560
4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
CID 91873134

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline (CID 101490463) is 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline is CC(C)N(C(C)C)P(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline?
The InChIKey is XNNXYKASSDABTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3OP2/c1-26(2)37(27(3)4)40(38,32-22-19-28(20-23-32)35(5)6)34-24-21-29(36(7)8)25-33(34)39(30-15-11-9-12-16-30)31-17-13-10-14-18-31/h9-27H,1-8H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline has a molecular weight of 571.69 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-[di(propan-2-yl)amino]phosphoryl]-3-diphenylphosphanyl-N,N-dimethylaniline is sourced from PubChem (CID 101490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).