N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

C30H20INS — CID 142715334

IUPACN-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESIc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C30H20INS/c31-23-12-16-25(17-13-23)32(24-14-10-22(11-15-24)21-6-2-1-3-7-21)26-18-19-28-27-8-4-5-9-29(27)33-30(28)20-26/h1-20H
InChIKeyCEBURSDYBVHQML-UHFFFAOYSA-N
MW553.47 g/mol
LogP9.80
Rot. Bonds4

About N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 142715334) has the molecular formula C30H20INS and a molecular weight of 553.47 g/mol. Its IUPAC name is N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID142715334
Molecular FormulaC30H20INS
Molecular Weight553.47 g/mol
Exact Mass553.04
IUPAC NameN-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESIc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C30H20INS/c31-23-12-16-25(17-13-23)32(24-14-10-22(11-15-24)21-6-2-1-3-7-21)26-18-19-28-27-8-4-5-9-29(27)33-30(28)20-26/h1-20H
InChIKeyCEBURSDYBVHQML-UHFFFAOYSA-N
XLogP9.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.47
LogP ≤ 59.80
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

N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
5-bromo-1-N,3-N-di(dibenzothiophen-3-yl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551935
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 142715334) is N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is Ic1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is CEBURSDYBVHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20INS/c31-23-12-16-25(17-13-23)32(24-14-10-22(11-15-24)21-6-2-1-3-7-21)26-18-19-28-27-8-4-5-9-29(27)33-30(28)20-26/h1-20H.
What are the key properties of N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 553.47 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 142715334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).