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

C52H36N2O2 — CID 59721890

IUPACN-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5occ6ccccc56)cc4)cc3)cc2)c2ccc(-c3occ4ccccc34)cc2)cc1
InChIInChI=1S/C52H36N2O2/c1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-49-17-9-7-11-41(49)35-55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-50-18-10-8-12-42(50)36-56-52/h1-36H
InChIKeyNSSPRCCSNWSSDY-UHFFFAOYSA-N
MW720.87 g/mol
LogP15.12
Rot. Bonds9

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

N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 59721890) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
PubChem CID59721890
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC NameN-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5occ6ccccc56)cc4)cc3)cc2)c2ccc(-c3occ4ccccc34)cc2)cc1
InChIInChI=1S/C52H36N2O2/c1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-49-17-9-7-11-41(49)35-55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-50-18-10-8-12-42(50)36-56-52/h1-36H
InChIKeyNSSPRCCSNWSSDY-UHFFFAOYSA-N
XLogP15.12
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline (CID 59721890) is N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5occ6ccccc56)cc4)cc3)cc2)c2ccc(-c3occ4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The InChIKey is NSSPRCCSNWSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-49-17-9-7-11-41(49)35-55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-50-18-10-8-12-42(50)36-56-52/h1-36H.
What are the key properties of N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline?
N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 720.87 g/mol, XLogP of 15.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzofuran-1-yl)phenyl]-4-[4-(N-[4-(2-benzofuran-1-yl)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 59721890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).