bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane

C48H60Cl4N6O2P2Sn — CID 6102147

IUPACbis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane
SMILESCN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/2C24H30N3OP.4ClH.Sn/c2*1-25(2)19-7-13-22(14-8-19)29(28,23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;;;;;/h2*7-18H,1-6H3;4*1H;/q;;;;;;+4/p-4
InChIKeyOFPVCHPKKOOTSV-UHFFFAOYSA-J
MW1075.52 g/mol
LogP9.43
Rot. Bonds12

About bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane

bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane (PubChem CID 6102147) has the molecular formula C48H60Cl4N6O2P2Sn and a molecular weight of 1075.52 g/mol. Its IUPAC name is bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane.

Molecular Properties

Compound Namebis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane
PubChem CID6102147
Molecular FormulaC48H60Cl4N6O2P2Sn
Molecular Weight1075.52 g/mol
Exact Mass1074.20
IUPAC Namebis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane
SMILESCN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.Cl[Sn](Cl)(Cl)Cl
InChIInChI=1S/2C24H30N3OP.4ClH.Sn/c2*1-25(2)19-7-13-22(14-8-19)29(28,23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;;;;;/h2*7-18H,1-6H3;4*1H;/q;;;;;;+4/p-4
InChIKeyOFPVCHPKKOOTSV-UHFFFAOYSA-J
XLogP9.43
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.52
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N,3-trimethylaniline
CID 143644773
4-[[4-(dimethylamino)phenoxy]-[4-(dimethylamino)phenyl]phosphoryl]oxy-N,N-dimethylaniline
CID 91873134
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[4-bis[4-(dimethylamino)phenyl]phosphorylbutyl-(4-methylphenyl)phosphoryl]-N,N-dimethylaniline
CID 10995607
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
chloro-[4-(dimethylamino)pyridin-1-ium-1-yl]phosphinate
CID 15628426
[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
CID 54050857

Frequently Asked Questions

What is the IUPAC name of bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane?
The IUPAC name of bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane (CID 6102147) is bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane.
What is the SMILES notation for bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane?
The canonical SMILES for bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane is CN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.Cl[Sn](Cl)(Cl)Cl.
What is the InChIKey of bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane?
The InChIKey is OFPVCHPKKOOTSV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C24H30N3OP.4ClH.Sn/c2*1-25(2)19-7-13-22(14-8-19)29(28,23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;;;;;/h2*7-18H,1-6H3;4*1H;/q;;;;;;+4/p-4.
What are the key properties of bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane?
bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane has a molecular weight of 1075.52 g/mol, XLogP of 9.43, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bis[4-(dimethylamino)phenyl]phosphoryl-N,N-dimethylaniline);tetrachlorostannane is sourced from PubChem (CID 6102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).