3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline

C30H20INO — CID 129273933

IUPAC3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
SMILESIc1ccc(N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C30H20INO/c31-22-16-18-24(19-17-22)32(23-9-2-1-3-10-23)25-11-6-8-21(20-25)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H
InChIKeySHCYSQRPAYQNKR-UHFFFAOYSA-N
MW537.40 g/mol
LogP9.33
Rot. Bonds4

About 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline

3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline (PubChem CID 129273933) has the molecular formula C30H20INO and a molecular weight of 537.40 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
PubChem CID129273933
Molecular FormulaC30H20INO
Molecular Weight537.40 g/mol
Exact Mass537.06
IUPAC Name3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
SMILESIc1ccc(N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C30H20INO/c31-22-16-18-24(19-17-22)32(23-9-2-1-3-10-23)25-11-6-8-21(20-25)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H
InChIKeySHCYSQRPAYQNKR-UHFFFAOYSA-N
XLogP9.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.40
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428371
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline
CID 170244104

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline (CID 129273933) is 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline is Ic1ccc(N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline?
The InChIKey is SHCYSQRPAYQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20INO/c31-22-16-18-24(19-17-22)32(23-9-2-1-3-10-23)25-11-6-8-21(20-25)26-13-7-14-28-27-12-4-5-15-29(27)33-30(26)28/h1-20H.
What are the key properties of 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline?
3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline has a molecular weight of 537.40 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline is sourced from PubChem (CID 129273933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).