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

C38H27NO — CID 170398858

IUPAC2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cc5ccccc5o4)cc3)c2)cc1
InChIInChI=1S/C38H27NO/c1-3-12-28(13-4-1)30-15-11-16-31(26-30)29-22-24-34(25-23-29)39(33-17-5-2-6-18-33)36-20-9-8-19-35(36)38-27-32-14-7-10-21-37(32)40-38/h1-27H
InChIKeyNUXQUIMHEUPEBH-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.90
Rot. Bonds6

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

2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 170398858) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID170398858
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cc5ccccc5o4)cc3)c2)cc1
InChIInChI=1S/C38H27NO/c1-3-12-28(13-4-1)30-15-11-16-31(26-30)29-22-24-34(25-23-29)39(33-17-5-2-6-18-33)36-20-9-8-19-35(36)38-27-32-14-7-10-21-37(32)40-38/h1-27H
InChIKeyNUXQUIMHEUPEBH-UHFFFAOYSA-N
XLogP10.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 170398958
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
2-(1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)aniline
CID 170398952
6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170400604
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 170526196
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 170526148
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 170398858) is 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cc5ccccc5o4)cc3)c2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is NUXQUIMHEUPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-3-12-28(13-4-1)30-15-11-16-31(26-30)29-22-24-34(25-23-29)39(33-17-5-2-6-18-33)36-20-9-8-19-35(36)38-27-32-14-7-10-21-37(32)40-38/h1-27H.
What are the key properties of 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 513.64 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170398858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).