1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine

C62H60N2P4 — CID 102107283

IUPAC1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine
SMILESc1ccc(CP(Cc2ccccc2)N(c2ccc(N(P(Cc3ccccc3)Cc3ccccc3)P(Cc3ccccc3)Cc3ccccc3)cc2)P(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C62H60N2P4/c1-9-25-53(26-10-1)45-65(46-54-27-11-2-12-28-54)63(66(47-55-29-13-3-14-30-55)48-56-31-15-4-16-32-56)61-41-43-62(44-42-61)64(67(49-57-33-17-5-18-34-57)50-58-35-19-6-20-36-58)68(51-59-37-21-7-22-38-59)52-60-39-23-8-24-40-60/h1-44H,45-52H2
InChIKeyWUIGKKWMJJZJRF-UHFFFAOYSA-N
MW957.07 g/mol
LogP18.49
Rot. Bonds22

About 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine (PubChem CID 102107283) has the molecular formula C62H60N2P4 and a molecular weight of 957.07 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine
PubChem CID102107283
Molecular FormulaC62H60N2P4
Molecular Weight957.07 g/mol
Exact Mass956.37
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine
SMILESc1ccc(CP(Cc2ccccc2)N(c2ccc(N(P(Cc3ccccc3)Cc3ccccc3)P(Cc3ccccc3)Cc3ccccc3)cc2)P(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C62H60N2P4/c1-9-25-53(26-10-1)45-65(46-54-27-11-2-12-28-54)63(66(47-55-29-13-3-14-30-55)48-56-31-15-4-16-32-56)61-41-43-62(44-42-61)64(67(49-57-33-17-5-18-34-57)50-58-35-19-6-20-36-58)68(51-59-37-21-7-22-38-59)52-60-39-23-8-24-40-60/h1-44H,45-52H2
InChIKeyWUIGKKWMJJZJRF-UHFFFAOYSA-N
XLogP18.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.07
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine 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

palladium;bis(tribenzylphosphane)
CID 87652258
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
CID 6102221
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
N,N-dibenzylaniline
CID 139071697
nickel(2+);phenylmethanethiolate
CID 6098233
potassium phenylmethanolate
CID 23672811
benzylsilane;hydron
CID 175019637

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine (CID 102107283) is 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine is c1ccc(CP(Cc2ccccc2)N(c2ccc(N(P(Cc3ccccc3)Cc3ccccc3)P(Cc3ccccc3)Cc3ccccc3)cc2)P(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine?
The InChIKey is WUIGKKWMJJZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N2P4/c1-9-25-53(26-10-1)45-65(46-54-27-11-2-12-28-54)63(66(47-55-29-13-3-14-30-55)48-56-31-15-4-16-32-56)61-41-43-62(44-42-61)64(67(49-57-33-17-5-18-34-57)50-58-35-19-6-20-36-58)68(51-59-37-21-7-22-38-59)52-60-39-23-8-24-40-60/h1-44H,45-52H2.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine has a molecular weight of 957.07 g/mol, XLogP of 18.49, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(dibenzylphosphanyl)benzene-1,4-diamine is sourced from PubChem (CID 102107283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).