4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline

C28H24NP — CID 141200555

IUPAC4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H24NP/c1-29(2)25-13-17-26(18-14-25)30(27-15-11-21-7-3-5-9-23(21)19-27)28-16-12-22-8-4-6-10-24(22)20-28/h3-20H,1-2H3
InChIKeyUTUTWUGGOQAZQO-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.82
Rot. Bonds4

About 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline

4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline (PubChem CID 141200555) has the molecular formula C28H24NP and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline
PubChem CID141200555
Molecular FormulaC28H24NP
Molecular Weight405.48 g/mol
Exact Mass405.16
IUPAC Name4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H24NP/c1-29(2)25-13-17-26(18-14-25)30(27-15-11-21-7-3-5-9-23(21)19-27)28-16-12-22-8-4-6-10-24(22)20-28/h3-20H,1-2H3
InChIKeyUTUTWUGGOQAZQO-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine
CID 101365555
4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
CID 82536280
4-[[4-(dimethylamino)phenyl]-(3-isoquinolin-1-ylphenyl)phosphanyl]-N,N-dimethylaniline
CID 56943384
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
CID 118512109
CID 118512109
N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
CID 161221550
dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane
CID 144896540
CID 19922556
CID 19922556
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898

Frequently Asked Questions

What is the IUPAC name of 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline?
The IUPAC name of 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline (CID 141200555) is 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline.
What is the SMILES notation for 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline?
The canonical SMILES for 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline is CN(C)c1ccc(P(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline?
The InChIKey is UTUTWUGGOQAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NP/c1-29(2)25-13-17-26(18-14-25)30(27-15-11-21-7-3-5-9-23(21)19-27)28-16-12-22-8-4-6-10-24(22)20-28/h3-20H,1-2H3.
What are the key properties of 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline?
4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline has a molecular weight of 405.48 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dinaphthalen-2-ylphosphanyl-N,N-dimethylaniline is sourced from PubChem (CID 141200555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).