N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline

C17H22NO2P3 — CID 164775901

IUPACN-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCOc1ccc(C2CCc3cc(OP)ccc3C2)c(NPP)c1
InChIInChI=1S/C17H22NO2P3/c1-19-14-6-7-16(17(10-14)18-23-22)13-3-2-12-9-15(20-21)5-4-11(12)8-13/h4-7,9-10,13,18,23H,2-3,8,21-22H2,1H3
InChIKeyGOVHHGBBBBLBDX-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.93
Rot. Bonds5

About N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline

N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline (PubChem CID 164775901) has the molecular formula C17H22NO2P3 and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
PubChem CID164775901
Molecular FormulaC17H22NO2P3
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC NameN-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCOc1ccc(C2CCc3cc(OP)ccc3C2)c(NPP)c1
InChIInChI=1S/C17H22NO2P3/c1-19-14-6-7-16(17(10-14)18-23-22)13-3-2-12-9-15(20-21)5-4-11(12)8-13/h4-7,9-10,13,18,23H,2-3,8,21-22H2,1H3
InChIKeyGOVHHGBBBBLBDX-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The IUPAC name of N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline (CID 164775901) is N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline.
What is the SMILES notation for N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The canonical SMILES for N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline is COc1ccc(C2CCc3cc(OP)ccc3C2)c(NPP)c1.
What is the InChIKey of N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The InChIKey is GOVHHGBBBBLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO2P3/c1-19-14-6-7-16(17(10-14)18-23-22)13-3-2-12-9-15(20-21)5-4-11(12)8-13/h4-7,9-10,13,18,23H,2-3,8,21-22H2,1H3.
What are the key properties of N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline has a molecular weight of 365.29 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline is sourced from PubChem (CID 164775901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).