N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C36H26IN — CID 131842725

IUPACN-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESIc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H26IN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKeyBDPMKALJWMRZIB-UHFFFAOYSA-N
MW599.52 g/mol
LogP10.76
Rot. Bonds6

About N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 131842725) has the molecular formula C36H26IN and a molecular weight of 599.52 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID131842725
Molecular FormulaC36H26IN
Molecular Weight599.52 g/mol
Exact Mass599.11
IUPAC NameN-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESIc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H26IN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKeyBDPMKALJWMRZIB-UHFFFAOYSA-N
XLogP10.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.52
LogP ≤ 510.76
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
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
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
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-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
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 N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 131842725) is N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Ic1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BDPMKALJWMRZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26IN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H.
What are the key properties of N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 599.52 g/mol, XLogP of 10.76, 6 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-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 131842725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).