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

C43H30N2O — CID 176785610

IUPACN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-5-13-31(14-6-1)32-21-25-37(26-22-32)45(36-19-11-4-12-20-36)38-27-23-34(24-28-38)40-30-29-39(33-15-7-2-8-16-33)41-42(40)46-43(44-41)35-17-9-3-10-18-35/h1-30H
InChIKeyXEBRAAAEVYNKHJ-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.97
Rot. Bonds7

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

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline (PubChem CID 176785610) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
PubChem CID176785610
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-5-13-31(14-6-1)32-21-25-37(26-22-32)45(36-19-11-4-12-20-36)38-27-23-34(24-28-38)40-30-29-39(33-15-7-2-8-16-33)41-42(40)46-43(44-41)35-17-9-3-10-18-35/h1-30H
InChIKeyXEBRAAAEVYNKHJ-UHFFFAOYSA-N
XLogP11.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.97
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]-2-phenyl-N-(4-phenylphenyl)aniline
CID 176785571
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 176785778
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
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
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176785818
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
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]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177089709
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline (CID 176785610) is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)c5nc(-c6ccccc6)oc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is XEBRAAAEVYNKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-5-13-31(14-6-1)32-21-25-37(26-22-32)45(36-19-11-4-12-20-36)38-27-23-34(24-28-38)40-30-29-39(33-15-7-2-8-16-33)41-42(40)46-43(44-41)35-17-9-3-10-18-35/h1-30H.
What are the key properties of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline?
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 590.73 g/mol, XLogP of 11.97, 7 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]-N,4-diphenylaniline is sourced from PubChem (CID 176785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).