2,3-diiodo-N,N-diphenylaniline

C18H13I2N — CID 66868227

IUPAC2,3-diiodo-N,N-diphenylaniline
SMILESIc1cccc(N(c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C18H13I2N/c19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyDOOMPZOFYPSIJI-UHFFFAOYSA-N
MW497.12 g/mol
LogP6.37
Rot. Bonds3

About 2,3-diiodo-N,N-diphenylaniline

2,3-diiodo-N,N-diphenylaniline (PubChem CID 66868227) has the molecular formula C18H13I2N and a molecular weight of 497.12 g/mol. Its IUPAC name is 2,3-diiodo-N,N-diphenylaniline.

Molecular Properties

Compound Name2,3-diiodo-N,N-diphenylaniline
PubChem CID66868227
Molecular FormulaC18H13I2N
Molecular Weight497.12 g/mol
Exact Mass496.91
IUPAC Name2,3-diiodo-N,N-diphenylaniline
SMILESIc1cccc(N(c2ccccc2)c2ccccc2)c1I
InChIInChI=1S/C18H13I2N/c19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyDOOMPZOFYPSIJI-UHFFFAOYSA-N
XLogP6.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.12
LogP ≤ 56.37
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

2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenylnaphthalen-1-amine
CID 11392281
1,2,3-triiodobenzene
CID 139071365
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
CID 165179719
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-N,N-diphenylaniline?
The IUPAC name of 2,3-diiodo-N,N-diphenylaniline (CID 66868227) is 2,3-diiodo-N,N-diphenylaniline.
What is the SMILES notation for 2,3-diiodo-N,N-diphenylaniline?
The canonical SMILES for 2,3-diiodo-N,N-diphenylaniline is Ic1cccc(N(c2ccccc2)c2ccccc2)c1I.
What is the InChIKey of 2,3-diiodo-N,N-diphenylaniline?
The InChIKey is DOOMPZOFYPSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13I2N/c19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,3-diiodo-N,N-diphenylaniline?
2,3-diiodo-N,N-diphenylaniline has a molecular weight of 497.12 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-N,N-diphenylaniline is sourced from PubChem (CID 66868227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).