4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

C44H32N2O — CID 59228382

IUPAC4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESCc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12
InChIInChI=1S/C44H32N2O/c1-31-13-12-22-42-43(31)47-44(45-42)34-25-23-32(24-26-34)38-18-8-10-20-40(38)41-21-11-9-19-39(41)33-27-29-37(30-28-33)46(35-14-4-2-5-15-35)36-16-6-3-7-17-36/h2-30H,1H3
InChIKeyCFQYOWPUBPIEQQ-UHFFFAOYSA-N
MW604.75 g/mol
LogP12.27
Rot. Bonds7

About 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 59228382) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID59228382
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESCc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12
InChIInChI=1S/C44H32N2O/c1-31-13-12-22-42-43(31)47-44(45-42)34-25-23-32(24-26-34)38-18-8-10-20-40(38)41-21-11-9-19-39(41)33-27-29-37(30-28-33)46(35-14-4-2-5-15-35)36-16-6-3-7-17-36/h2-30H,1H3
InChIKeyCFQYOWPUBPIEQQ-UHFFFAOYSA-N
XLogP12.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 155474138
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
4-[2-[2-[4-[6-(4-methylphenyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228630
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228619
4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228593
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
N-[4-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]phenyl]-4-ethyl-N-(4-ethylphenyl)aniline
CID 59228567
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037
N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
CID 171755293

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (CID 59228382) is 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is Cc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.
What is the InChIKey of 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is CFQYOWPUBPIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-31-13-12-22-42-43(31)47-44(45-42)34-25-23-32(24-26-34)38-18-8-10-20-40(38)41-21-11-9-19-39(41)33-27-29-37(30-28-33)46(35-14-4-2-5-15-35)36-16-6-3-7-17-36/h2-30H,1H3.
What are the key properties of 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 604.75 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 59228382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).