4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline

C52H47N2P3 — CID 118581524

IUPAC4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline
SMILESCc1cc(Cc2ccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)c(C)c2)ccc1N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H47N2P3/c1-41-38-43(34-36-51(41)53(3)55(45-22-10-4-11-23-45)46-24-12-5-13-25-46)40-44-35-37-52(42(2)39-44)54(56(47-26-14-6-15-27-47)48-28-16-7-17-29-48)57(49-30-18-8-19-31-49)50-32-20-9-21-33-50/h4-39H,40H2,1-3H3
InChIKeyCUDFXDVITJJWKU-UHFFFAOYSA-N
MW792.88 g/mol
LogP11.28
Rot. Bonds13

About 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline

4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline (PubChem CID 118581524) has the molecular formula C52H47N2P3 and a molecular weight of 792.88 g/mol. Its IUPAC name is 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline
PubChem CID118581524
Molecular FormulaC52H47N2P3
Molecular Weight792.88 g/mol
Exact Mass792.30
IUPAC Name4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline
SMILESCc1cc(Cc2ccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)c(C)c2)ccc1N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H47N2P3/c1-41-38-43(34-36-51(41)53(3)55(45-22-10-4-11-23-45)46-24-12-5-13-25-46)40-44-35-37-52(42(2)39-44)54(56(47-26-14-6-15-27-47)48-28-16-7-17-29-48)57(49-30-18-8-19-31-49)50-32-20-9-21-33-50/h4-39H,40H2,1-3H3
InChIKeyCUDFXDVITJJWKU-UHFFFAOYSA-N
XLogP11.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.88
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline 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

N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
CID 102327336
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588
4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
CID 59925649
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 155027571
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene
CID 173276275

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline?
The IUPAC name of 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline (CID 118581524) is 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline.
What is the SMILES notation for 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline?
The canonical SMILES for 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline is Cc1cc(Cc2ccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)c(C)c2)ccc1N(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline?
The InChIKey is CUDFXDVITJJWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N2P3/c1-41-38-43(34-36-51(41)53(3)55(45-22-10-4-11-23-45)46-24-12-5-13-25-46)40-44-35-37-52(42(2)39-44)54(56(47-26-14-6-15-27-47)48-28-16-7-17-29-48)57(49-30-18-8-19-31-49)50-32-20-9-21-33-50/h4-39H,40H2,1-3H3.
What are the key properties of 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline?
4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline has a molecular weight of 792.88 g/mol, XLogP of 11.28, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(diphenylphosphanyl)amino]-3-methylphenyl]methyl]-N-diphenylphosphanyl-N,2-dimethylaniline is sourced from PubChem (CID 118581524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).