N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine

C18H30N4O2P2S2 — CID 16761247

IUPACN-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine
SMILESCN(C)P(=S)(Oc1ccc2cccc(OP(=S)(N(C)C)N(C)C)c2c1)N(C)C
InChIInChI=1S/C18H30N4O2P2S2/c1-19(2)25(27,20(3)4)23-16-13-12-15-10-9-11-18(17(15)14-16)24-26(28,21(5)6)22(7)8/h9-14H,1-8H3
InChIKeySLQXVGCYWDKQER-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.29
Rot. Bonds8

About N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine

N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine (PubChem CID 16761247) has the molecular formula C18H30N4O2P2S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine
PubChem CID16761247
Molecular FormulaC18H30N4O2P2S2
Molecular Weight460.55 g/mol
Exact Mass460.13
IUPAC NameN-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine
SMILESCN(C)P(=S)(Oc1ccc2cccc(OP(=S)(N(C)C)N(C)C)c2c1)N(C)C
InChIInChI=1S/C18H30N4O2P2S2/c1-19(2)25(27,20(3)4)23-16-13-12-15-10-9-11-18(17(15)14-16)24-26(28,21(5)6)22(7)8/h9-14H,1-8H3
InChIKeySLQXVGCYWDKQER-UHFFFAOYSA-N
XLogP4.29
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,7-diethoxynaphthalene
CID 13359547
(4-ethylphenyl) naphthalen-1-yl naphthalen-2-yl phosphate
CID 139980305
4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine
CID 141165194
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate
CID 12513594
(7-hexoxynaphthalen-1-yl) acetate
CID 150519564
7-ethenoxy-1-prop-2-enoxynaphthalene
CID 164732321
(8-methylnaphthalen-2-yl)oxyphosphane
CID 54177980
1-anthracen-1-ylperoxyanthracene
CID 87977353
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
(7-methylnaphthalen-1-yl) acetate
CID 14143437

Frequently Asked Questions

What is the IUPAC name of N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine?
The IUPAC name of N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine (CID 16761247) is N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine.
What is the SMILES notation for N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine?
The canonical SMILES for N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine is CN(C)P(=S)(Oc1ccc2cccc(OP(=S)(N(C)C)N(C)C)c2c1)N(C)C.
What is the InChIKey of N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine?
The InChIKey is SLQXVGCYWDKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2P2S2/c1-19(2)25(27,20(3)4)23-16-13-12-15-10-9-11-18(17(15)14-16)24-26(28,21(5)6)22(7)8/h9-14H,1-8H3.
What are the key properties of N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine?
N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine has a molecular weight of 460.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine is sourced from PubChem (CID 16761247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).