N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine

C48H42N2P2 — CID 58761652

IUPACN-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(P(CCNc2ccc3ccccc3c2-c2c(NCCP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C48H42N2P2/c1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)35-33-49-45-31-29-37-17-13-15-27-43(37)47(45)48-44-28-16-14-18-38(44)30-32-46(48)50-34-36-52(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32,49-50H,33-36H2
InChIKeyBKKXRDWCQHSZAN-UHFFFAOYSA-N
MW708.83 g/mol
LogP10.75
Rot. Bonds13

About N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine

N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 58761652) has the molecular formula C48H42N2P2 and a molecular weight of 708.83 g/mol. Its IUPAC name is N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID58761652
Molecular FormulaC48H42N2P2
Molecular Weight708.83 g/mol
Exact Mass708.28
IUPAC NameN-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(P(CCNc2ccc3ccccc3c2-c2c(NCCP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C48H42N2P2/c1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)35-33-49-45-31-29-37-17-13-15-27-43(37)47(45)48-44-28-16-14-18-38(44)30-32-46(48)50-34-36-52(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32,49-50H,33-36H2
InChIKeyBKKXRDWCQHSZAN-UHFFFAOYSA-N
XLogP10.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.83
LogP ≤ 510.75
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

N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine
CID 58761650
2-naphthalen-1-ylethyl(diphenyl)phosphane
CID 173438152
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761741
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
CID 170920405
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine (CID 58761652) is N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine is c1ccc(P(CCNc2ccc3ccccc3c2-c2c(NCCP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is BKKXRDWCQHSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2P2/c1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)35-33-49-45-31-29-37-17-13-15-27-43(37)47(45)48-44-28-16-14-18-38(44)30-32-46(48)50-34-36-52(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32,49-50H,33-36H2.
What are the key properties of N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine?
N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 708.83 g/mol, XLogP of 10.75, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 58761652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).