4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C70H50N6O — CID 22983496

IUPAC4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5)o4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C70H50N6O/c1-5-23-55(24-6-1)73(56-25-7-2-8-26-56)59-43-47-63(48-44-59)75(67-33-17-21-51-19-13-15-31-65(51)67)61-39-35-53(36-40-61)69-71-72-70(77-69)54-37-41-62(42-38-54)76(68-34-18-22-52-20-14-16-32-66(52)68)64-49-45-60(46-50-64)74(57-27-9-3-10-28-57)58-29-11-4-12-30-58/h1-50H
InChIKeyNNYIODQZYKZVJF-UHFFFAOYSA-N
MW991.21 g/mol
LogP19.59
Rot. Bonds14

About 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 22983496) has the molecular formula C70H50N6O and a molecular weight of 991.21 g/mol. Its IUPAC name is 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID22983496
Molecular FormulaC70H50N6O
Molecular Weight991.21 g/mol
Exact Mass990.40
IUPAC Name4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5)o4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C70H50N6O/c1-5-23-55(24-6-1)73(56-25-7-2-8-26-56)59-43-47-63(48-44-59)75(67-33-17-21-51-19-13-15-31-65(51)67)61-39-35-53(36-40-61)69-71-72-70(77-69)54-37-41-62(42-38-54)76(68-34-18-22-52-20-14-16-32-66(52)68)64-49-45-60(46-50-64)74(57-27-9-3-10-28-57)58-29-11-4-12-30-58/h1-50H
InChIKeyNNYIODQZYKZVJF-UHFFFAOYSA-N
XLogP19.59
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 22983496) is 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5)o4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is NNYIODQZYKZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N6O/c1-5-23-55(24-6-1)73(56-25-7-2-8-26-56)59-43-47-63(48-44-59)75(67-33-17-21-51-19-13-15-31-65(51)67)61-39-35-53(36-40-61)69-71-72-70(77-69)54-37-41-62(42-38-54)76(68-34-18-22-52-20-14-16-32-66(52)68)64-49-45-60(46-50-64)74(57-27-9-3-10-28-57)58-29-11-4-12-30-58/h1-50H.
What are the key properties of 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 991.21 g/mol, XLogP of 19.59, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 22983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).