N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline

C31H22N2O — CID 170716724

IUPACN-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)cc3)cc2)cc1
InChIInChI=1S/C31H22N2O/c1-3-7-25(8-4-1)31-33-29-20-17-26(21-30(29)34-31)24-13-11-22(12-14-24)23-15-18-28(19-16-23)32-27-9-5-2-6-10-27/h1-21,32H
InChIKeyOSCCPPSQBPPMAB-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.57
Rot. Bonds5

About N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline

N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline (PubChem CID 170716724) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
PubChem CID170716724
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC NameN-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(Nc2ccc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)cc3)cc2)cc1
InChIInChI=1S/C31H22N2O/c1-3-7-25(8-4-1)31-33-29-20-17-26(21-30(29)34-31)24-13-11-22(12-14-24)23-15-18-28(19-16-23)32-27-9-5-2-6-10-27/h1-21,32H
InChIKeyOSCCPPSQBPPMAB-UHFFFAOYSA-N
XLogP8.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 170267058
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
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
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
CID 166918117
N-[4-[3-[4-(10-chloronaphtho[2,1-g][1,3]benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-phenylaniline
CID 166965267

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline?
The IUPAC name of N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline (CID 170716724) is N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline is c1ccc(Nc2ccc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline?
The InChIKey is OSCCPPSQBPPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O/c1-3-7-25(8-4-1)31-33-29-20-17-26(21-30(29)34-31)24-13-11-22(12-14-24)23-15-18-28(19-16-23)32-27-9-5-2-6-10-27/h1-21,32H.
What are the key properties of N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline?
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline has a molecular weight of 438.53 g/mol, XLogP of 8.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline is sourced from PubChem (CID 170716724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).