N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline

C41H30N4O — CID 59691270

IUPACN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C41H30N4O/c1-5-13-33(14-6-1)44(34-15-7-2-8-16-34)37-25-21-31(22-26-37)39-40(43-29-30-46-41(43)42-39)32-23-27-38(28-24-32)45(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-30H
InChIKeyWVDLXKIUPVCDGF-UHFFFAOYSA-N
MW594.72 g/mol
LogP11.20
Rot. Bonds8

About N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline (PubChem CID 59691270) has the molecular formula C41H30N4O and a molecular weight of 594.72 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline
PubChem CID59691270
Molecular FormulaC41H30N4O
Molecular Weight594.72 g/mol
Exact Mass594.24
IUPAC NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C41H30N4O/c1-5-13-33(14-6-1)44(34-15-7-2-8-16-34)37-25-21-31(22-26-37)39-40(43-29-30-46-41(43)42-39)32-23-27-38(28-24-32)45(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-30H
InChIKeyWVDLXKIUPVCDGF-UHFFFAOYSA-N
XLogP11.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]oxazole
CID 59999932
6-naphthalen-2-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine
CID 59691238
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
CID 148796411
6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
CID 59691082
N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610
N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
CID 59691150
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
2,3,4,5,6-pentadeuterio-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 167376681
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
CID 167376601
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline (CID 59691270) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc4occn4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline?
The InChIKey is WVDLXKIUPVCDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4O/c1-5-13-33(14-6-1)44(34-15-7-2-8-16-34)37-25-21-31(22-26-37)39-40(43-29-30-46-41(43)42-39)32-23-27-38(28-24-32)45(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-30H.
What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline?
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline has a molecular weight of 594.72 g/mol, XLogP of 11.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline is sourced from PubChem (CID 59691270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).