[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine

C46H38N2P2 — CID 11412181

IUPAC[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
SMILESNCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(CN)cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C46H38N2P2/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-30H,31-32,47-48H2
InChIKeyGVTUBWFHUCEYNC-UHFFFAOYSA-N
MW680.77 g/mol
LogP8.09
Rot. Bonds9

About [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine

[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine (PubChem CID 11412181) has the molecular formula C46H38N2P2 and a molecular weight of 680.77 g/mol. Its IUPAC name is [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
PubChem CID11412181
Molecular FormulaC46H38N2P2
Molecular Weight680.77 g/mol
Exact Mass680.25
IUPAC Name[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
SMILESNCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(CN)cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C46H38N2P2/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-30H,31-32,47-48H2
InChIKeyGVTUBWFHUCEYNC-UHFFFAOYSA-N
XLogP8.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
CID 11412180
[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene
CID 91222494
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101466208
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-[2-diphenylphosphanyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)naphthalen-1-yl]-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)naphthalen-2-yl]-diphenylphosphane
CID 15536639
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
CID 25029251

Frequently Asked Questions

What is the IUPAC name of [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine?
The IUPAC name of [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine (CID 11412181) is [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine.
What is the SMILES notation for [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine?
The canonical SMILES for [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine is NCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccc(CN)cc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine?
The InChIKey is GVTUBWFHUCEYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2P2/c47-31-33-22-26-41-36(29-33)25-28-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-30-34(32-48)21-23-35(42)24-27-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-30H,31-32,47-48H2.
What are the key properties of [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine?
[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine has a molecular weight of 680.77 g/mol, XLogP of 8.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine is sourced from PubChem (CID 11412181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).