N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine

C49H35N3O — CID 153395125

IUPACN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5o4)cc3)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-5-13-36(14-6-1)38-21-27-43(28-22-38)51(41-17-9-3-10-18-41)44-31-25-40(26-32-44)49-50-47-35-46(33-34-48(47)53-49)52(42-19-11-4-12-20-42)45-29-23-39(24-30-45)37-15-7-2-8-16-37/h1-35H
InChIKeyRVNOEVVDRWSVOV-UHFFFAOYSA-N
MW681.84 g/mol
LogP13.77
Rot. Bonds9

About N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine

N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine (PubChem CID 153395125) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
PubChem CID153395125
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC NameN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5o4)cc3)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-5-13-36(14-6-1)38-21-27-43(28-22-38)51(41-17-9-3-10-18-41)44-31-25-40(26-32-44)49-50-47-35-46(33-34-48(47)53-49)52(42-19-11-4-12-20-42)45-29-23-39(24-30-45)37-15-7-2-8-16-37/h1-35H
InChIKeyRVNOEVVDRWSVOV-UHFFFAOYSA-N
XLogP13.77
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228619
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
CID 158680796
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine (CID 153395125) is N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5o4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine?
The InChIKey is RVNOEVVDRWSVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c1-5-13-36(14-6-1)38-21-27-43(28-22-38)51(41-17-9-3-10-18-41)44-31-25-40(26-32-44)49-50-47-35-46(33-34-48(47)53-49)52(42-19-11-4-12-20-42)45-29-23-39(24-30-45)37-15-7-2-8-16-37/h1-35H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine?
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine has a molecular weight of 681.84 g/mol, XLogP of 13.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 153395125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).