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

C64H43NO — CID 170400847

IUPAC4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-16-44(17-3-1)55-24-7-9-26-58(55)59-27-10-8-25-56(59)47-34-38-52(39-35-47)65(51-36-32-46(33-37-51)54-30-15-20-45-18-4-6-23-53(45)54)62-41-40-57(60-28-11-12-29-61(60)62)48-21-14-22-49(42-48)64-43-50-19-5-13-31-63(50)66-64/h1-43H
InChIKeyWMXYXEIZEBUAMI-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 170400847) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID170400847
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC Name4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-16-44(17-3-1)55-24-7-9-26-58(55)59-27-10-8-25-56(59)47-34-38-52(39-35-47)65(51-36-32-46(33-37-51)54-30-15-20-45-18-4-6-23-53(45)54)62-41-40-57(60-28-11-12-29-61(60)62)48-21-14-22-49(42-48)64-43-50-19-5-13-31-63(50)66-64/h1-43H
InChIKeyWMXYXEIZEBUAMI-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400708
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 170400839
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170402214
4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400798
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-(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
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 170400847) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is WMXYXEIZEBUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-2-16-44(17-3-1)55-24-7-9-26-58(55)59-27-10-8-25-56(59)47-34-38-52(39-35-47)65(51-36-32-46(33-37-51)54-30-15-20-45-18-4-6-23-53(45)54)62-41-40-57(60-28-11-12-29-61(60)62)48-21-14-22-49(42-48)64-43-50-19-5-13-31-63(50)66-64/h1-43H.
What are the key properties of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 170400847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).