N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline

C39H27N3O — CID 59691150

IUPACN,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
SMILESc1ccc(-c2ccc(-c3nc4oc5ccccc5n4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C39H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)37-38(42-35-18-10-11-19-36(35)43-39(42)40-37)31-24-26-34(27-25-31)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H
InChIKeyYNLMMSJOYCPHIX-UHFFFAOYSA-N
MW553.67 g/mol
LogP10.55
Rot. Bonds6

About N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline

N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline (PubChem CID 59691150) has the molecular formula C39H27N3O and a molecular weight of 553.67 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
PubChem CID59691150
Molecular FormulaC39H27N3O
Molecular Weight553.67 g/mol
Exact Mass553.22
IUPAC NameN,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
SMILESc1ccc(-c2ccc(-c3nc4oc5ccccc5n4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C39H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)37-38(42-35-18-10-11-19-36(35)43-39(42)40-37)31-24-26-34(27-25-31)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H
InChIKeyYNLMMSJOYCPHIX-UHFFFAOYSA-N
XLogP10.55
TPSA33.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691113
2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
CID 59691080
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline
CID 59691270
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539162
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline (CID 59691150) is N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline is c1ccc(-c2ccc(-c3nc4oc5ccccc5n4c3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline?
The InChIKey is YNLMMSJOYCPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O/c1-4-12-28(13-5-1)29-20-22-30(23-21-29)37-38(42-35-18-10-11-19-36(35)43-39(42)40-37)31-24-26-34(27-25-31)41(32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-27H.
What are the key properties of N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline?
N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline has a molecular weight of 553.67 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline is sourced from PubChem (CID 59691150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).