N,N-diphenylaniline;oxadiazole;1H-pyrrole

C24H22N4O — CID 174890335

IUPACN,N-diphenylaniline;oxadiazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1conn1
InChIInChI=1S/C18H15N.C4H5N.C2H2N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2-5-4-3-1/h1-15H;1-5H;1-2H
InChIKeyWTHSQRHOIGJMBG-UHFFFAOYSA-N
MW382.47 g/mol
LogP6.24
Rot. Bonds3

About N,N-diphenylaniline;oxadiazole;1H-pyrrole

N,N-diphenylaniline;oxadiazole;1H-pyrrole (PubChem CID 174890335) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N,N-diphenylaniline;oxadiazole;1H-pyrrole.

Molecular Properties

Compound NameN,N-diphenylaniline;oxadiazole;1H-pyrrole
PubChem CID174890335
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN,N-diphenylaniline;oxadiazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1conn1
InChIInChI=1S/C18H15N.C4H5N.C2H2N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2-5-4-3-1/h1-15H;1-5H;1-2H
InChIKeyWTHSQRHOIGJMBG-UHFFFAOYSA-N
XLogP6.24
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole
CID 161076953
2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole
CID 162008571
N,N-diphenylaniline;pyridazine
CID 175041243
isoindole-1,3-dione;oxadiazole
CID 174725577
N,N-diphenylaniline;triazine
CID 157284330
N,N-diphenylaniline;silane
CID 131739129
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenylaniline;1H-pyrazole;pyridine
CID 174794888
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;oxadiazole;1H-pyrrole?
The IUPAC name of N,N-diphenylaniline;oxadiazole;1H-pyrrole (CID 174890335) is N,N-diphenylaniline;oxadiazole;1H-pyrrole.
What is the SMILES notation for N,N-diphenylaniline;oxadiazole;1H-pyrrole?
The canonical SMILES for N,N-diphenylaniline;oxadiazole;1H-pyrrole is c1cc[nH]c1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1conn1.
What is the InChIKey of N,N-diphenylaniline;oxadiazole;1H-pyrrole?
The InChIKey is WTHSQRHOIGJMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C4H5N.C2H2N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2-5-4-3-1/h1-15H;1-5H;1-2H.
What are the key properties of N,N-diphenylaniline;oxadiazole;1H-pyrrole?
N,N-diphenylaniline;oxadiazole;1H-pyrrole has a molecular weight of 382.47 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;oxadiazole;1H-pyrrole is sourced from PubChem (CID 174890335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).