2,4,6-tris(4-phenylphenyl)aniline

C42H31N — CID 4248420

IUPAC2,4,6-tris(4-phenylphenyl)aniline
SMILESNc1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H31N/c43-42-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)28-39(36-18-16-33(17-19-36)30-10-4-1-5-11-30)29-41(42)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H,43H2
InChIKeyTVPYYCMITQFBJV-UHFFFAOYSA-N
MW549.72 g/mol
LogP11.27
Rot. Bonds6

About 2,4,6-tris(4-phenylphenyl)aniline

2,4,6-tris(4-phenylphenyl)aniline (PubChem CID 4248420) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is 2,4,6-tris(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,4,6-tris(4-phenylphenyl)aniline
PubChem CID4248420
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC Name2,4,6-tris(4-phenylphenyl)aniline
SMILESNc1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H31N/c43-42-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)28-39(36-18-16-33(17-19-36)30-10-4-1-5-11-30)29-41(42)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H,43H2
InChIKeyTVPYYCMITQFBJV-UHFFFAOYSA-N
XLogP11.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 511.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-diphenyl-4-pyridin-4-ylaniline
CID 11209480
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
1,2,4-triphenylbenzene
CID 518325
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2-(2,4-diphenylphenyl)aniline
CID 163426287
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-phenylphenyl)aniline?
The IUPAC name of 2,4,6-tris(4-phenylphenyl)aniline (CID 4248420) is 2,4,6-tris(4-phenylphenyl)aniline.
What is the SMILES notation for 2,4,6-tris(4-phenylphenyl)aniline?
The canonical SMILES for 2,4,6-tris(4-phenylphenyl)aniline is Nc1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,4,6-tris(4-phenylphenyl)aniline?
The InChIKey is TVPYYCMITQFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c43-42-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)28-39(36-18-16-33(17-19-36)30-10-4-1-5-11-30)29-41(42)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H,43H2.
What are the key properties of 2,4,6-tris(4-phenylphenyl)aniline?
2,4,6-tris(4-phenylphenyl)aniline has a molecular weight of 549.72 g/mol, XLogP of 11.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-phenylphenyl)aniline is sourced from PubChem (CID 4248420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).