N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine

C61H43N3O — CID 158680796

IUPACN-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5o4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C61H43N3O/c1-7-19-44(20-8-1)55-38-35-52(41-57(55)46-23-11-3-12-24-46)63(49-27-15-5-16-28-49)51-33-31-48(32-34-51)61-62-59-40-37-54(43-60(59)65-61)64(50-29-17-6-18-30-50)53-36-39-56(45-21-9-2-10-22-45)58(42-53)47-25-13-4-14-26-47/h1-43H
InChIKeyFBBGVGVBGPAIEF-UHFFFAOYSA-N
MW834.04 g/mol
LogP17.10
Rot. Bonds11

About N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine

N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine (PubChem CID 158680796) has the molecular formula C61H43N3O and a molecular weight of 834.04 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
PubChem CID158680796
Molecular FormulaC61H43N3O
Molecular Weight834.04 g/mol
Exact Mass833.34
IUPAC NameN-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5o4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C61H43N3O/c1-7-19-44(20-8-1)55-38-35-52(41-57(55)46-23-11-3-12-24-46)63(49-27-15-5-16-28-49)51-33-31-48(32-34-51)61-62-59-40-37-54(43-60(59)65-61)64(50-29-17-6-18-30-50)53-36-39-56(45-21-9-2-10-22-45)58(42-53)47-25-13-4-14-26-47/h1-43H
InChIKeyFBBGVGVBGPAIEF-UHFFFAOYSA-N
XLogP17.10
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.04
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
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
4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228593
4-[2-[2-[4-[6-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228630
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123759
3-phenyl-4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171455668
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
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-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine (CID 158680796) is N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5o4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine?
The InChIKey is FBBGVGVBGPAIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3O/c1-7-19-44(20-8-1)55-38-35-52(41-57(55)46-23-11-3-12-24-46)63(49-27-15-5-16-28-49)51-33-31-48(32-34-51)61-62-59-40-37-54(43-60(59)65-61)64(50-29-17-6-18-30-50)53-36-39-56(45-21-9-2-10-22-45)58(42-53)47-25-13-4-14-26-47/h1-43H.
What are the key properties of N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine?
N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine has a molecular weight of 834.04 g/mol, XLogP of 17.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 158680796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).