N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

C50H34N4O2 — CID 59707538

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C50H34N4O2/c1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-34H
InChIKeyZLOAIMYFRYDOJT-UHFFFAOYSA-N
MW722.85 g/mol
LogP13.91
Rot. Bonds9

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 59707538) has the molecular formula C50H34N4O2 and a molecular weight of 722.85 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
PubChem CID59707538
Molecular FormulaC50H34N4O2
Molecular Weight722.85 g/mol
Exact Mass722.27
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C50H34N4O2/c1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-34H
InChIKeyZLOAIMYFRYDOJT-UHFFFAOYSA-N
XLogP13.91
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (CID 59707538) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The InChIKey is ZLOAIMYFRYDOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O2/c1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-34H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 722.85 g/mol, XLogP of 13.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 59707538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).