1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine

C42H30N4O — CID 58903547

IUPAC1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)cc3)o2)cc1
InChIInChI=1S/C42H30N4O/c1-5-15-31(16-6-1)41-43-44-42(47-41)32-27-29-36(30-28-32)46(35-21-11-4-12-22-35)40-26-14-23-37-38(40)24-13-25-39(37)45(33-17-7-2-8-18-33)34-19-9-3-10-20-34/h1-30H
InChIKeyZCWWXFJUMKVNMB-UHFFFAOYSA-N
MW606.73 g/mol
LogP11.50
Rot. Bonds8

About 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine

1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine (PubChem CID 58903547) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
PubChem CID58903547
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)cc3)o2)cc1
InChIInChI=1S/C42H30N4O/c1-5-15-31(16-6-1)41-43-44-42(47-41)32-27-29-36(30-28-32)46(35-21-11-4-12-22-35)40-26-14-23-37-38(40)24-13-25-39(37)45(33-17-7-2-8-18-33)34-19-9-3-10-20-34/h1-30H
InChIKeyZCWWXFJUMKVNMB-UHFFFAOYSA-N
XLogP11.50
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 157281283
N-[4-[3-[4-(N-[2,5-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-2,5-dimethyl-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline;N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 158909975
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine (CID 58903547) is 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine is c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)cc3)o2)cc1.
What is the InChIKey of 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine?
The InChIKey is ZCWWXFJUMKVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-5-15-31(16-6-1)41-43-44-42(47-41)32-27-29-36(30-28-32)46(35-21-11-4-12-22-35)40-26-14-23-37-38(40)24-13-25-39(37)45(33-17-7-2-8-18-33)34-19-9-3-10-20-34/h1-30H.
What are the key properties of 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine?
1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine has a molecular weight of 606.73 g/mol, XLogP of 11.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine is sourced from PubChem (CID 58903547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).