1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine

C80H58N4O2 — CID 59721887

IUPAC1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)o7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)cc1
InChIInChI=1S/C80H58N4O2/c1-7-19-61(20-8-1)77-55-57-79(85-77)63-35-43-71(44-36-63)83(75-51-47-73(48-52-75)81(65-23-11-3-12-24-65)66-25-13-4-14-26-66)69-39-31-59(32-40-69)60-33-41-70(42-34-60)84(72-45-37-64(38-46-72)80-58-56-78(86-80)62-21-9-2-10-22-62)76-53-49-74(50-54-76)82(67-27-15-5-16-28-67)68-29-17-6-18-30-68/h1-58H
InChIKeyMNHMQMZFXMNXHQ-UHFFFAOYSA-N
MW1107.37 g/mol
LogP23.09
Rot. Bonds17

About 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 59721887) has the molecular formula C80H58N4O2 and a molecular weight of 1107.37 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
PubChem CID59721887
Molecular FormulaC80H58N4O2
Molecular Weight1107.37 g/mol
Exact Mass1106.46
IUPAC Name1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)o7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)cc1
InChIInChI=1S/C80H58N4O2/c1-7-19-61(20-8-1)77-55-57-79(85-77)63-35-43-71(44-36-63)83(75-51-47-73(48-52-75)81(65-23-11-3-12-24-65)66-25-13-4-14-26-66)69-39-31-59(32-40-69)60-33-41-70(42-34-60)84(72-45-37-64(38-46-72)80-58-56-78(86-80)62-21-9-2-10-22-62)76-53-49-74(50-54-76)82(67-27-15-5-16-28-67)68-29-17-6-18-30-68/h1-58H
InChIKeyMNHMQMZFXMNXHQ-UHFFFAOYSA-N
XLogP23.09
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.37
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721904
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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
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-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
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
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-[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
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
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

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine (CID 59721887) is 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)o7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is MNHMQMZFXMNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N4O2/c1-7-19-61(20-8-1)77-55-57-79(85-77)63-35-43-71(44-36-63)83(75-51-47-73(48-52-75)81(65-23-11-3-12-24-65)66-25-13-4-14-26-66)69-39-31-59(32-40-69)60-33-41-70(42-34-60)84(72-45-37-64(38-46-72)80-58-56-78(86-80)62-21-9-2-10-22-62)76-53-49-74(50-54-76)82(67-27-15-5-16-28-67)68-29-17-6-18-30-68/h1-58H.
What are the key properties of 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?
1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 1107.37 g/mol, XLogP of 23.09, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 59721887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).