N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline

C27H25N — CID 166562766

IUPACN-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N/c1-27(2,23-12-7-4-8-13-23)24-14-9-15-26(20-24)28-25-18-16-22(17-19-25)21-10-5-3-6-11-21/h3-20,28H,1-2H3
InChIKeyJDOUOIHZUQLURN-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.42
Rot. Bonds5

About N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline

N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline (PubChem CID 166562766) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
PubChem CID166562766
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC NameN-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(c1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N/c1-27(2,23-12-7-4-8-13-23)24-14-9-15-26(20-24)28-25-18-16-22(17-19-25)21-10-5-3-6-11-21/h3-20,28H,1-2H3
InChIKeyJDOUOIHZUQLURN-UHFFFAOYSA-N
XLogP7.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-N-phenylaniline
CID 19803090
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 134358030
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N,6-diphenylnaphthalen-2-amine
CID 67205043
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
2-phenylpropan-2-ylbenzene
CID 13065
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
N-(4-ethylphenyl)-3-phenylaniline
CID 142244163

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline?
The IUPAC name of N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline (CID 166562766) is N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline?
The canonical SMILES for N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline is CC(C)(c1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline?
The InChIKey is JDOUOIHZUQLURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-27(2,23-12-7-4-8-13-23)24-14-9-15-26(20-24)28-25-18-16-22(17-19-25)21-10-5-3-6-11-21/h3-20,28H,1-2H3.
What are the key properties of N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline?
N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline has a molecular weight of 363.50 g/mol, XLogP of 7.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 166562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).