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

C44H31NO — CID 170398451

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)c2)cc1
InChIInChI=1S/C44H31NO/c1-3-12-32(13-4-1)35-15-11-16-36(30-35)33-22-26-39(27-23-33)45(38-17-5-2-6-18-38)40-28-24-34(25-29-40)41-19-8-9-20-42(41)44-31-37-14-7-10-21-43(37)46-44/h1-31H
InChIKeyFVZWLSYQYYPYCM-UHFFFAOYSA-N
MW589.74 g/mol
LogP12.57
Rot. Bonds7

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline (PubChem CID 170398451) has the molecular formula C44H31NO and a molecular weight of 589.74 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
PubChem CID170398451
Molecular FormulaC44H31NO
Molecular Weight589.74 g/mol
Exact Mass589.24
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)c2)cc1
InChIInChI=1S/C44H31NO/c1-3-12-32(13-4-1)35-15-11-16-36(30-35)33-22-26-39(27-23-33)45(38-17-5-2-6-18-38)40-28-24-34(25-29-40)41-19-8-9-20-42(41)44-31-37-14-7-10-21-43(37)46-44/h1-31H
InChIKeyFVZWLSYQYYPYCM-UHFFFAOYSA-N
XLogP12.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 170398415
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170400028
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399764
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398270
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398858
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline (CID 170398451) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline?
The InChIKey is FVZWLSYQYYPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NO/c1-3-12-32(13-4-1)35-15-11-16-36(30-35)33-22-26-39(27-23-33)45(38-17-5-2-6-18-38)40-28-24-34(25-29-40)41-19-8-9-20-42(41)44-31-37-14-7-10-21-43(37)46-44/h1-31H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline has a molecular weight of 589.74 g/mol, XLogP of 12.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 170398451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).