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

C25H20IN — CID 174505698

IUPACN-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C25H20IN/c1-19-7-15-24(16-8-19)27(23-5-3-2-4-6-23)25-17-11-21(12-18-25)20-9-13-22(26)14-10-20/h2-18H,1H3
InChIKeyXRRKQNTUJGQGRM-UHFFFAOYSA-N
MW461.35 g/mol
LogP7.74
Rot. Bonds4

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

N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline (PubChem CID 174505698) has the molecular formula C25H20IN and a molecular weight of 461.35 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
PubChem CID174505698
Molecular FormulaC25H20IN
Molecular Weight461.35 g/mol
Exact Mass461.06
IUPAC NameN-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C25H20IN/c1-19-7-15-24(16-8-19)27(23-5-3-2-4-6-23)25-17-11-21(12-18-25)20-9-13-22(26)14-10-20/h2-18H,1H3
InChIKeyXRRKQNTUJGQGRM-UHFFFAOYSA-N
XLogP7.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.35
LogP ≤ 57.74
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

4-(4-iodophenyl)-N-[4-(4-iodophenyl)phenyl]-N-phenylaniline
CID 139751422
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 131842725
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
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,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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline (CID 174505698) is N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(I)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline?
The InChIKey is XRRKQNTUJGQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20IN/c1-19-7-15-24(16-8-19)27(23-5-3-2-4-6-23)25-17-11-21(12-18-25)20-9-13-22(26)14-10-20/h2-18H,1H3.
What are the key properties of N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline?
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline has a molecular weight of 461.35 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 174505698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).