4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C66H48N6O — CID 58625364

IUPAC4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)o4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H48N6O/c1-6-21-52(22-7-1)69(53-23-8-2-9-24-53)58-41-45-60(46-42-58)71(61-47-43-59(44-48-61)70(54-25-10-3-11-26-54)55-27-12-4-13-28-55)57-37-33-50(34-38-57)65-67-68-66(73-65)51-35-39-62(40-36-51)72(56-29-14-5-15-30-56)64-32-18-20-49-19-16-17-31-63(49)64/h1-48H
InChIKeyIWNLNSOIABHCHJ-UHFFFAOYSA-N
MW941.15 g/mol
LogP18.44
Rot. Bonds14

About 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 58625364) has the molecular formula C66H48N6O and a molecular weight of 941.15 g/mol. Its IUPAC name is 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID58625364
Molecular FormulaC66H48N6O
Molecular Weight941.15 g/mol
Exact Mass940.39
IUPAC Name4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)o4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H48N6O/c1-6-21-52(22-7-1)69(53-23-8-2-9-24-53)58-41-45-60(46-42-58)71(61-47-43-59(44-48-61)70(54-25-10-3-11-26-54)55-27-12-4-13-28-55)57-37-33-50(34-38-57)65-67-68-66(73-65)51-35-39-62(40-36-51)72(56-29-14-5-15-30-56)64-32-18-20-49-19-16-17-31-63(49)64/h1-48H
InChIKeyIWNLNSOIABHCHJ-UHFFFAOYSA-N
XLogP18.44
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.15
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 58625364) is 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)o4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is IWNLNSOIABHCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N6O/c1-6-21-52(22-7-1)69(53-23-8-2-9-24-53)58-41-45-60(46-42-58)71(61-47-43-59(44-48-61)70(54-25-10-3-11-26-54)55-27-12-4-13-28-55)57-37-33-50(34-38-57)65-67-68-66(73-65)51-35-39-62(40-36-51)72(56-29-14-5-15-30-56)64-32-18-20-49-19-16-17-31-63(49)64/h1-48H.
What are the key properties of 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 941.15 g/mol, XLogP of 18.44, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 58625364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).