N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline

C24H21Al2I2N2- — CID 163678762

IUPACN-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline
SMILES[AlH2]N([AlH2])c1ccc([I-]c2ccc(N(I)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H17I2N2.2Al.4H/c25-28(23-14-6-19(7-15-23)18-4-2-1-3-5-18)24-16-10-21(11-17-24)26-20-8-12-22(27)13-9-20;;;;;;/h1-17H;;;;;;/q-1;;;;;;
InChIKeyPFFXSDOAXJNJSR-UHFFFAOYSA-N
MW645.22 g/mol
LogP1.87
Rot. Bonds6

About N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline

N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline (PubChem CID 163678762) has the molecular formula C24H21Al2I2N2- and a molecular weight of 645.22 g/mol. Its IUPAC name is N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline
PubChem CID163678762
Molecular FormulaC24H21Al2I2N2-
Molecular Weight645.22 g/mol
Exact Mass644.94
IUPAC NameN-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline
SMILES[AlH2]N([AlH2])c1ccc([I-]c2ccc(N(I)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H17I2N2.2Al.4H/c25-28(23-14-6-19(7-15-23)18-4-2-1-3-5-18)24-16-10-21(11-17-24)26-20-8-12-22(27)13-9-20;;;;;;/h1-17H;;;;;;/q-1;;;;;;
InChIKeyPFFXSDOAXJNJSR-UHFFFAOYSA-N
XLogP1.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-iodo-4-phenyl-N-(4-phenylphenyl)aniline
CID 138489036
1-phenyl-4-phenyliodanuidylbenzene
CID 58675779
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline?
The IUPAC name of N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline (CID 163678762) is N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline.
What is the SMILES notation for N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline?
The canonical SMILES for N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline is [AlH2]N([AlH2])c1ccc([I-]c2ccc(N(I)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline?
The InChIKey is PFFXSDOAXJNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17I2N2.2Al.4H/c25-28(23-14-6-19(7-15-23)18-4-2-1-3-5-18)24-16-10-21(11-17-24)26-20-8-12-22(27)13-9-20;;;;;;/h1-17H;;;;;;/q-1;;;;;;.
What are the key properties of N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline?
N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline has a molecular weight of 645.22 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline is sourced from PubChem (CID 163678762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).