4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile

C32H20N2O — CID 175190264

IUPAC4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4oc(-c5ccc(-c6ccccc6)cc5)nc34)cc2)cc1
InChIInChI=1S/C32H20N2O/c33-21-22-9-11-24(12-10-22)26-13-17-27(18-14-26)29-7-4-8-30-31(29)34-32(35-30)28-19-15-25(16-20-28)23-5-2-1-3-6-23/h1-20H
InChIKeyBZEQELCOOYSPHT-UHFFFAOYSA-N
MW448.53 g/mol
LogP8.37
Rot. Bonds4

About 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile

4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile (PubChem CID 175190264) has the molecular formula C32H20N2O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
PubChem CID175190264
Molecular FormulaC32H20N2O
Molecular Weight448.53 g/mol
Exact Mass448.16
IUPAC Name4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccc4oc(-c5ccc(-c6ccccc6)cc5)nc34)cc2)cc1
InChIInChI=1S/C32H20N2O/c33-21-22-9-11-24(12-10-22)26-13-17-27(18-14-26)29-7-4-8-30-31(29)34-32(35-30)28-19-15-25(16-20-28)23-5-2-1-3-6-23/h1-20H
InChIKeyBZEQELCOOYSPHT-UHFFFAOYSA-N
XLogP8.37
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
3-[6-chloro-2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]benzonitrile
CID 154680726
3-[6-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]benzonitrile
CID 155059697
4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 158281562
4-phenyl-1,3-benzoxazol-2-amine
CID 70467238
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[4-[4-(3-dibenzofuran-1-yl-5,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509423
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
3-[4-[4,6-di(phenanthren-9-yl)-1,3-benzoxazol-2-yl]phenyl]benzonitrile
CID 162366667
4-[5-(N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylanilino)-2-pyridinyl]benzonitrile
CID 169061597

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile (CID 175190264) is 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cccc4oc(-c5ccc(-c6ccccc6)cc5)nc34)cc2)cc1.
What is the InChIKey of 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile?
The InChIKey is BZEQELCOOYSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O/c33-21-22-9-11-24(12-10-22)26-13-17-27(18-14-26)29-7-4-8-30-31(29)34-32(35-30)28-19-15-25(16-20-28)23-5-2-1-3-6-23/h1-20H.
What are the key properties of 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile?
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile has a molecular weight of 448.53 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 175190264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).