4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine

C18H16N2 — CID 130257526

IUPAC4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
SMILES[2H]c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H/i1D
InChIKeyUTGQNNCQYDRXCH-MICDWDOJSA-N
MW261.35 g/mol
LogP5.17
Rot. Bonds4

About 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 130257526) has the molecular formula C18H16N2 and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID130257526
Molecular FormulaC18H16N2
Molecular Weight261.35 g/mol
Exact Mass261.14
IUPAC Name4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
SMILES[2H]c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H/i1D
InChIKeyUTGQNNCQYDRXCH-MICDWDOJSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
azane;N-phenylaniline
CID 67074378
hydrazine;N-phenylaniline
CID 159755629
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
4-iodo-N-phenylaniline
CID 11471947
CID 175904297
CID 175904297
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
sodium;dimethylazanide;N-phenylaniline
CID 87793775
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
4-ethenyl-N-phenylaniline
CID 21478062
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine (CID 130257526) is 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine is [2H]c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is UTGQNNCQYDRXCH-MICDWDOJSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H/i1D.
What are the key properties of 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 261.35 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 130257526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).