N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine

C44H42N2P2 — CID 101046937

IUPACN-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine
SMILESCCN(Cc1c2ccccc2c(CN(CC)P(c2ccccc2)c2ccccc2)c2ccccc12)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42N2P2/c1-3-45(47(35-21-9-5-10-22-35)36-23-11-6-12-24-36)33-43-39-29-17-19-31-41(39)44(42-32-20-18-30-40(42)43)34-46(4-2)48(37-25-13-7-14-26-37)38-27-15-8-16-28-38/h5-32H,3-4,33-34H2,1-2H3
InChIKeyPDMOEGFNLGBDSC-UHFFFAOYSA-N
MW660.78 g/mol
LogP9.73
Rot. Bonds12

About N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine

N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine (PubChem CID 101046937) has the molecular formula C44H42N2P2 and a molecular weight of 660.78 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine
PubChem CID101046937
Molecular FormulaC44H42N2P2
Molecular Weight660.78 g/mol
Exact Mass660.28
IUPAC NameN-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine
SMILESCCN(Cc1c2ccccc2c(CN(CC)P(c2ccccc2)c2ccccc2)c2ccccc12)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42N2P2/c1-3-45(47(35-21-9-5-10-22-35)36-23-11-6-12-24-36)33-43-39-29-17-19-31-41(39)44(42-32-20-18-30-40(42)43)34-46(4-2)48(37-25-13-7-14-26-37)38-27-15-8-16-28-38/h5-32H,3-4,33-34H2,1-2H3
InChIKeyPDMOEGFNLGBDSC-UHFFFAOYSA-N
XLogP9.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine
CID 23414819
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
bis(copper(1+));bis(N-(diphenylphosphanylmethyl)-N-[[10-[[diphenylphosphanylmethyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine);diperchlorate
CID 11982603
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
CID 129083275
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine
CID 147294566
10-(diethylaminomethyl)phenanthren-9-ol
CID 102351140
N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 990837

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine?
The IUPAC name of N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine (CID 101046937) is N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine.
What is the SMILES notation for N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine?
The canonical SMILES for N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine is CCN(Cc1c2ccccc2c(CN(CC)P(c2ccccc2)c2ccccc2)c2ccccc12)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine?
The InChIKey is PDMOEGFNLGBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2P2/c1-3-45(47(35-21-9-5-10-22-35)36-23-11-6-12-24-36)33-43-39-29-17-19-31-41(39)44(42-32-20-18-30-40(42)43)34-46(4-2)48(37-25-13-7-14-26-37)38-27-15-8-16-28-38/h5-32H,3-4,33-34H2,1-2H3.
What are the key properties of N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine?
N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine has a molecular weight of 660.78 g/mol, XLogP of 9.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine is sourced from PubChem (CID 101046937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).