dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium

C27H27NP+ — CID 127262754

IUPACdimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium
SMILESCc1ccc(N(c2ccccc2)c2ccccc2[P+](C)(C)c2ccccc2)cc1
InChIInChI=1S/C27H27NP/c1-22-18-20-24(21-19-22)28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(2,3)25-14-8-5-9-15-25/h4-21H,1-3H3/q+1
InChIKeyLYDANRUDQBQBQN-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.69
Rot. Bonds5

About dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium

dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium (PubChem CID 127262754) has the molecular formula C27H27NP+ and a molecular weight of 396.49 g/mol. Its IUPAC name is dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium.

Molecular Properties

Compound Namedimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium
PubChem CID127262754
Molecular FormulaC27H27NP+
Molecular Weight396.49 g/mol
Exact Mass396.19
IUPAC Namedimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium
SMILESCc1ccc(N(c2ccccc2)c2ccccc2[P+](C)(C)c2ccccc2)cc1
InChIInChI=1S/C27H27NP/c1-22-18-20-24(21-19-22)28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(2,3)25-14-8-5-9-15-25/h4-21H,1-3H3/q+1
InChIKeyLYDANRUDQBQBQN-UHFFFAOYSA-N
XLogP6.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(N-(4-bromophenyl)anilino)phenyl]-methyl-diphenylphosphanium
CID 102341261
2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium?
The IUPAC name of dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium (CID 127262754) is dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium.
What is the SMILES notation for dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium?
The canonical SMILES for dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium is Cc1ccc(N(c2ccccc2)c2ccccc2[P+](C)(C)c2ccccc2)cc1.
What is the InChIKey of dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium?
The InChIKey is LYDANRUDQBQBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP/c1-22-18-20-24(21-19-22)28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(2,3)25-14-8-5-9-15-25/h4-21H,1-3H3/q+1.
What are the key properties of dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium?
dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium has a molecular weight of 396.49 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium is sourced from PubChem (CID 127262754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).