4-(1-benzofuran-2-yl)-N,N-diphenylaniline

C52H38N2O2 — CID 139080403

IUPAC4-(1-benzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/2C26H19NO/c2*1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h2*1-19H
InChIKeyBHOKXWCNFMQJEH-UHFFFAOYSA-N
MW722.89 g/mol
LogP15.14
Rot. Bonds8

About 4-(1-benzofuran-2-yl)-N,N-diphenylaniline

4-(1-benzofuran-2-yl)-N,N-diphenylaniline (PubChem CID 139080403) has the molecular formula C52H38N2O2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N,N-diphenylaniline
PubChem CID139080403
Molecular FormulaC52H38N2O2
Molecular Weight722.89 g/mol
Exact Mass722.29
IUPAC Name4-(1-benzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/2C26H19NO/c2*1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h2*1-19H
InChIKeyBHOKXWCNFMQJEH-UHFFFAOYSA-N
XLogP15.14
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
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-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline (CID 139080403) is 4-(1-benzofuran-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4o3)cc2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
The InChIKey is BHOKXWCNFMQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19NO/c2*1-3-10-22(11-4-1)27(23-12-5-2-6-13-23)24-17-15-20(16-18-24)26-19-21-9-7-8-14-25(21)28-26/h2*1-19H.
What are the key properties of 4-(1-benzofuran-2-yl)-N,N-diphenylaniline?
4-(1-benzofuran-2-yl)-N,N-diphenylaniline has a molecular weight of 722.89 g/mol, XLogP of 15.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 139080403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).