4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline

C30H21I2N — CID 139751422

IUPAC4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline
SMILESIc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(I)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H21I2N/c31-26-14-6-22(7-15-26)24-10-18-29(19-11-24)33(28-4-2-1-3-5-28)30-20-12-25(13-21-30)23-8-16-27(32)17-9-23/h1-21H
InChIKeyZMSWEZDCNDFJRZ-UHFFFAOYSA-N
MW649.31 g/mol
LogP9.70
Rot. Bonds5

About 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline

4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline (PubChem CID 139751422) has the molecular formula C30H21I2N and a molecular weight of 649.31 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline
PubChem CID139751422
Molecular FormulaC30H21I2N
Molecular Weight649.31 g/mol
Exact Mass648.98
IUPAC Name4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline
SMILESIc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(I)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H21I2N/c31-26-14-6-22(7-15-26)24-10-18-29(19-11-24)33(28-4-2-1-3-5-28)30-20-12-25(13-21-30)23-8-16-27(32)17-9-23/h1-21H
InChIKeyZMSWEZDCNDFJRZ-UHFFFAOYSA-N
XLogP9.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.31
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 131842725
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
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-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,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline (CID 139751422) is 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline is Ic1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(I)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline?
The InChIKey is ZMSWEZDCNDFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21I2N/c31-26-14-6-22(7-15-26)24-10-18-29(19-11-24)33(28-4-2-1-3-5-28)30-20-12-25(13-21-30)23-8-16-27(32)17-9-23/h1-21H.
What are the key properties of 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline?
4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline has a molecular weight of 649.31 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 139751422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).