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

C38H28N4O — CID 58903757

IUPAC1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C38H28N4O/c1-5-15-29(16-6-1)37-39-40-38(43-37)30-25-27-34(28-26-30)42(33-21-11-4-12-22-33)36-24-14-13-23-35(36)41(31-17-7-2-8-18-31)32-19-9-3-10-20-32/h1-28H
InChIKeyFSNIINXBRMRBRY-UHFFFAOYSA-N
MW556.67 g/mol
LogP10.34
Rot. Bonds8

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

1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine (PubChem CID 58903757) has the molecular formula C38H28N4O and a molecular weight of 556.67 g/mol. Its IUPAC name is 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
PubChem CID58903757
Molecular FormulaC38H28N4O
Molecular Weight556.67 g/mol
Exact Mass556.23
IUPAC Name1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C38H28N4O/c1-5-15-29(16-6-1)37-39-40-38(43-37)30-25-27-34(28-26-30)42(33-21-11-4-12-22-33)36-24-14-13-23-35(36)41(31-17-7-2-8-18-31)32-19-9-3-10-20-32/h1-28H
InChIKeyFSNIINXBRMRBRY-UHFFFAOYSA-N
XLogP10.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
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
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102034905
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
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 132556945
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59228323

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 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) is 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine is c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine?
The InChIKey is FSNIINXBRMRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O/c1-5-15-29(16-6-1)37-39-40-38(43-37)30-25-27-34(28-26-30)42(33-21-11-4-12-22-33)36-24-14-13-23-35(36)41(31-17-7-2-8-18-31)32-19-9-3-10-20-32/h1-28H.
What are the key properties of 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine?
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine has a molecular weight of 556.67 g/mol, XLogP of 10.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 58903757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).