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

C46H31NO2 — CID 164744662

IUPAC4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C46H31NO2/c1-2-10-40(11-3-1)47(41-26-22-34(23-27-41)32-14-18-36(19-15-32)45-30-38-8-4-6-12-43(38)48-45)42-28-24-35(25-29-42)33-16-20-37(21-17-33)46-31-39-9-5-7-13-44(39)49-46/h1-31H
InChIKeyWYASTYMQZSTZFL-UHFFFAOYSA-N
MW629.76 g/mol
LogP13.32
Rot. Bonds7

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

4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline (PubChem CID 164744662) has the molecular formula C46H31NO2 and a molecular weight of 629.76 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
PubChem CID164744662
Molecular FormulaC46H31NO2
Molecular Weight629.76 g/mol
Exact Mass629.24
IUPAC Name4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C46H31NO2/c1-2-10-40(11-3-1)47(41-26-22-34(23-27-41)32-14-18-36(19-15-32)45-30-38-8-4-6-12-43(38)48-45)42-28-24-35(25-29-42)33-16-20-37(21-17-33)46-31-39-9-5-7-13-44(39)49-46/h1-31H
InChIKeyWYASTYMQZSTZFL-UHFFFAOYSA-N
XLogP13.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 89295907
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline (CID 164744662) is 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline?
The InChIKey is WYASTYMQZSTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO2/c1-2-10-40(11-3-1)47(41-26-22-34(23-27-41)32-14-18-36(19-15-32)45-30-38-8-4-6-12-43(38)48-45)42-28-24-35(25-29-42)33-16-20-37(21-17-33)46-31-39-9-5-7-13-44(39)49-46/h1-31H.
What are the key properties of 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline?
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline has a molecular weight of 629.76 g/mol, XLogP of 13.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164744662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).