N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline

C30H27NO — CID 171429896

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3cc4ccccc4o3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H27NO/c1-30(2,3)24-15-18-27(26(20-24)21-9-5-4-6-10-21)31-25-16-13-22(14-17-25)29-19-23-11-7-8-12-28(23)32-29/h4-20,31H,1-3H3
InChIKeyBDRXDHWIESVLKY-UHFFFAOYSA-N
MW417.55 g/mol
LogP8.81
Rot. Bonds4

About N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline

N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline (PubChem CID 171429896) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
PubChem CID171429896
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3cc4ccccc4o3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H27NO/c1-30(2,3)24-15-18-27(26(20-24)21-9-5-4-6-10-21)31-25-16-13-22(14-17-25)29-19-23-11-7-8-12-28(23)32-29/h4-20,31H,1-3H3
InChIKeyBDRXDHWIESVLKY-UHFFFAOYSA-N
XLogP8.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155120070
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine
CID 171604639
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
N-(4-tert-butyl-2-phenylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 167250996
2-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]-1-benzofuran
CID 59390421
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
4,18-bis(1-benzofuran-2-yl)-8,14-bis(4-tert-butyl-2-phenylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171429894
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
CID 164550748
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline (CID 171429896) is N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline is CC(C)(C)c1ccc(Nc2ccc(-c3cc4ccccc4o3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline?
The InChIKey is BDRXDHWIESVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO/c1-30(2,3)24-15-18-27(26(20-24)21-9-5-4-6-10-21)31-25-16-13-22(14-17-25)29-19-23-11-7-8-12-28(23)32-29/h4-20,31H,1-3H3.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline?
N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline has a molecular weight of 417.55 g/mol, XLogP of 8.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline is sourced from PubChem (CID 171429896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).