N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C49H34N2O — CID 176785571

IUPACN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H34N2O/c1-5-15-35(16-6-1)36-25-29-41(30-26-36)51(46-24-14-13-23-43(46)37-17-7-2-8-18-37)42-31-27-39(28-32-42)45-34-33-44(38-19-9-3-10-20-38)47-48(45)52-49(50-47)40-21-11-4-12-22-40/h1-34H
InChIKeyFTGREQGRUBYYNA-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.63
Rot. Bonds8

About N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 176785571) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID176785571
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H34N2O/c1-5-15-35(16-6-1)36-25-29-41(30-26-36)51(46-24-14-13-23-43(46)37-17-7-2-8-18-37)42-31-27-39(28-32-42)45-34-33-44(38-19-9-3-10-20-38)47-48(45)52-49(50-47)40-21-11-4-12-22-40/h1-34H
InChIKeyFTGREQGRUBYYNA-UHFFFAOYSA-N
XLogP13.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176785818
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-N,2-diphenylaniline
CID 177089780
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 176785778
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167124386
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine
CID 171410299
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 167124692
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167128442
2-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411790

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 176785571) is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FTGREQGRUBYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-5-15-35(16-6-1)36-25-29-41(30-26-36)51(46-24-14-13-23-43(46)37-17-7-2-8-18-37)42-31-27-39(28-32-42)45-34-33-44(38-19-9-3-10-20-38)47-48(45)52-49(50-47)40-21-11-4-12-22-40/h1-34H.
What are the key properties of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 666.82 g/mol, XLogP of 13.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176785571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).