N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline

C43H28N2O2 — CID 171754673

IUPACN-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4ccc(-c6nc7ccccc7o6)cc45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-3-9-29(10-4-1)30-15-21-35(22-16-30)45(34-11-5-2-6-12-34)36-23-17-31(18-24-36)32-19-25-37-38-27-33(20-26-40(38)46-42(37)28-32)43-44-39-13-7-8-14-41(39)47-43/h1-28H
InChIKeyDYDRKBGXVNJEBW-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline

N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline (PubChem CID 171754673) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
PubChem CID171754673
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4ccc(-c6nc7ccccc7o6)cc45)cc3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-3-9-29(10-4-1)30-15-21-35(22-16-30)45(34-11-5-2-6-12-34)36-23-17-31(18-24-36)32-19-25-37-38-27-33(20-26-40(38)46-42(37)28-32)43-44-39-13-7-8-14-41(39)47-43/h1-28H
InChIKeyDYDRKBGXVNJEBW-UHFFFAOYSA-N
XLogP12.20
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 175613470
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
CID 171754383
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline (CID 171754673) is N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4ccc(-c6nc7ccccc7o6)cc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is DYDRKBGXVNJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-3-9-29(10-4-1)30-15-21-35(22-16-30)45(34-11-5-2-6-12-34)36-23-17-31(18-24-36)32-19-25-37-38-27-33(20-26-40(38)46-42(37)28-32)43-44-39-13-7-8-14-41(39)47-43/h1-28H.
What are the key properties of N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline?
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 604.71 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 171754673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).