4-(2-deuteriophenyl)-N-phenylaniline

C18H15N — CID 171832508

IUPAC4-(2-deuteriophenyl)-N-phenylaniline
SMILES[2H]c1ccccc1-c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H/i7D
InChIKeyYGNUPJXMDOFFDO-WHRKIXHSSA-N
MW246.33 g/mol
LogP5.10
Rot. Bonds3

About 4-(2-deuteriophenyl)-N-phenylaniline

4-(2-deuteriophenyl)-N-phenylaniline (PubChem CID 171832508) has the molecular formula C18H15N and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(2-deuteriophenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(2-deuteriophenyl)-N-phenylaniline
PubChem CID171832508
Molecular FormulaC18H15N
Molecular Weight246.33 g/mol
Exact Mass246.13
IUPAC Name4-(2-deuteriophenyl)-N-phenylaniline
SMILES[2H]c1ccccc1-c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H/i7D
InChIKeyYGNUPJXMDOFFDO-WHRKIXHSSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-deuterio-2-(4-deuteriophenyl)benzene
CID 172864519
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
CID 130257526
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
N,6-diphenylnaphthalen-2-amine
CID 67205043
N-phenyl-4-(5-phenylfuran-2-yl)aniline
CID 59721912
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
azane;N-phenylaniline
CID 67074378
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriophenyl)-N-phenylaniline?
The IUPAC name of 4-(2-deuteriophenyl)-N-phenylaniline (CID 171832508) is 4-(2-deuteriophenyl)-N-phenylaniline.
What is the SMILES notation for 4-(2-deuteriophenyl)-N-phenylaniline?
The canonical SMILES for 4-(2-deuteriophenyl)-N-phenylaniline is [2H]c1ccccc1-c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-deuteriophenyl)-N-phenylaniline?
The InChIKey is YGNUPJXMDOFFDO-WHRKIXHSSA-N. The full InChI is InChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H/i7D.
What are the key properties of 4-(2-deuteriophenyl)-N-phenylaniline?
4-(2-deuteriophenyl)-N-phenylaniline has a molecular weight of 246.33 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriophenyl)-N-phenylaniline is sourced from PubChem (CID 171832508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).