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

C48H33NO — CID 170526196

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccccc3-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-2-13-36(14-3-1)44-18-9-10-20-46(44)49(41-28-24-35(25-29-41)39-23-22-34-12-4-5-15-38(34)32-39)42-30-26-37(27-31-42)43-17-7-8-19-45(43)48-33-40-16-6-11-21-47(40)50-48/h1-33H
InChIKeyAFEOZWGEVHPBGQ-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 170526196) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID170526196
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccccc3-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-2-13-36(14-3-1)44-18-9-10-20-46(44)49(41-28-24-35(25-29-41)39-23-22-34-12-4-5-15-38(34)32-39)42-30-26-37(27-31-42)43-17-7-8-19-45(43)48-33-40-16-6-11-21-47(40)50-48/h1-33H
InChIKeyAFEOZWGEVHPBGQ-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170399851
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 170526148
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915
6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170400604
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170399736
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170526137
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398858
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
N-[2-(1-benzofuran-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170398985

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 170526196) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccccc3-c3cc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is AFEOZWGEVHPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-2-13-36(14-3-1)44-18-9-10-20-46(44)49(41-28-24-35(25-29-41)39-23-22-34-12-4-5-15-38(34)32-39)42-30-26-37(27-31-42)43-17-7-8-19-45(43)48-33-40-16-6-11-21-47(40)50-48/h1-33H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 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-(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 170526196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).