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

C48H33NO — CID 170398958

IUPAC2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C48H33NO/c1-2-12-34(13-3-1)39-17-10-18-42(32-39)49(46-22-8-7-20-45(46)48-33-40-15-5-9-23-47(40)50-48)41-30-28-36(29-31-41)35-24-26-38(27-25-35)44-21-11-16-37-14-4-6-19-43(37)44/h1-33H
InChIKeyQQRGMDHLPDSEHJ-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

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

2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 170398958) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID170398958
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C48H33NO/c1-2-12-34(13-3-1)39-17-10-18-42(32-39)49(46-22-8-7-20-45(46)48-33-40-15-5-9-23-47(40)50-48)41-30-28-36(29-31-41)35-24-26-38(27-25-35)44-21-11-16-37-14-4-6-19-43(37)44/h1-33H
InChIKeyQQRGMDHLPDSEHJ-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-(4-phenylphenyl)phenyl]aniline
CID 170398836
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170402214
2-(1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)aniline
CID 170398952
2-(1-benzofuran-2-yl)-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398858
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170398475
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170399835
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
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
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170526378

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline (CID 170398958) is 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3cc4ccccc4o3)c2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is QQRGMDHLPDSEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-2-12-34(13-3-1)39-17-10-18-42(32-39)49(46-22-8-7-20-45(46)48-33-40-15-5-9-23-47(40)50-48)41-30-28-36(29-31-41)35-24-26-38(27-25-35)44-21-11-16-37-14-4-6-19-43(37)44/h1-33H.
What are the key properties of 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline?
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline 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 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 170398958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).