N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine

C48H33NO — CID 170526378

IUPACN-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3-c3cc4ccccc4o3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H33NO/c1-2-15-34(16-3-1)39-20-7-9-23-42(39)43-24-10-8-21-40(43)36-29-31-38(32-30-36)49(45-27-14-19-35-17-4-6-22-41(35)45)46-26-12-11-25-44(46)48-33-37-18-5-13-28-47(37)50-48/h1-33H
InChIKeyJATBTEQIJVKMEE-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine

N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 170526378) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID170526378
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3-c3cc4ccccc4o3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H33NO/c1-2-15-34(16-3-1)39-20-7-9-23-42(39)43-24-10-8-21-40(43)36-29-31-38(32-30-36)49(45-27-14-19-35-17-4-6-22-41(35)45)46-26-12-11-25-44(46)48-33-37-18-5-13-28-47(37)50-48/h1-33H
InChIKeyJATBTEQIJVKMEE-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

2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400127
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-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170399835
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170398475
N-[2-(1-benzofuran-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170398985
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 170398958
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170399727
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 170526148

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 170526378) is N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3-c3cc4ccccc4o3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is JATBTEQIJVKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-2-15-34(16-3-1)39-20-7-9-23-42(39)43-24-10-8-21-40(43)36-29-31-38(32-30-36)49(45-27-14-19-35-17-4-6-22-41(35)45)46-26-12-11-25-44(46)48-33-37-18-5-13-28-47(37)50-48/h1-33H.
What are the key properties of N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine 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-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 170526378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).