N-iodo-4-phenyl-N-(4-phenylphenyl)aniline

C24H18IN — CID 138489036

IUPACN-iodo-4-phenyl-N-(4-phenylphenyl)aniline
SMILESIN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18IN/c25-26(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyBFWRWPUIKGJFQC-UHFFFAOYSA-N
MW447.32 g/mol
LogP7.51
Rot. Bonds4

About N-iodo-4-phenyl-N-(4-phenylphenyl)aniline

N-iodo-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 138489036) has the molecular formula C24H18IN and a molecular weight of 447.32 g/mol. Its IUPAC name is N-iodo-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-iodo-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID138489036
Molecular FormulaC24H18IN
Molecular Weight447.32 g/mol
Exact Mass447.05
IUPAC NameN-iodo-4-phenyl-N-(4-phenylphenyl)aniline
SMILESIN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18IN/c25-26(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyBFWRWPUIKGJFQC-UHFFFAOYSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.32
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[4-[bis(alumanyl)amino]phenyl]iodanuidylphenyl]-N-iodo-4-phenylaniline
CID 163678762
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-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
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
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
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-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of N-iodo-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-iodo-4-phenyl-N-(4-phenylphenyl)aniline (CID 138489036) is N-iodo-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-iodo-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-iodo-4-phenyl-N-(4-phenylphenyl)aniline is IN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-iodo-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BFWRWPUIKGJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18IN/c25-26(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H.
What are the key properties of N-iodo-4-phenyl-N-(4-phenylphenyl)aniline?
N-iodo-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 447.32 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 138489036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).