3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline

C32H23NO — CID 170398679

IUPAC3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5o4)c3)cc2)cc1
InChIInChI=1S/C32H23NO/c1-3-10-24(11-4-1)25-18-20-29(21-19-25)33(28-14-5-2-6-15-28)30-16-9-13-26(22-30)32-23-27-12-7-8-17-31(27)34-32/h1-23H
InChIKeyVIZQUFGIWHHCRN-UHFFFAOYSA-N
MW437.54 g/mol
LogP9.24
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline

3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170398679) has the molecular formula C32H23NO and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170398679
Molecular FormulaC32H23NO
Molecular Weight437.54 g/mol
Exact Mass437.18
IUPAC Name3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5o4)c3)cc2)cc1
InChIInChI=1S/C32H23NO/c1-3-10-24(11-4-1)25-18-20-29(21-19-25)33(28-14-5-2-6-15-28)30-16-9-13-26(22-30)32-23-27-12-7-8-17-31(27)34-32/h1-23H
InChIKeyVIZQUFGIWHHCRN-UHFFFAOYSA-N
XLogP9.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 170398679) is 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc5ccccc5o4)c3)cc2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VIZQUFGIWHHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO/c1-3-10-24(11-4-1)25-18-20-29(21-19-25)33(28-14-5-2-6-15-28)30-16-9-13-26(22-30)32-23-27-12-7-8-17-31(27)34-32/h1-23H.
What are the key properties of 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 437.54 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170398679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).