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

C43H28N2O2 — CID 176785778

IUPACN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4)c3o2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)35-26-27-36(42-41(35)44-43(47-42)31-14-6-2-7-15-31)30-20-22-33(23-21-30)45(32-16-8-3-9-17-32)34-24-25-38-37-18-10-11-19-39(37)46-40(38)28-34/h1-28H
InChIKeyXCOOYECDKBIANG-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

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

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 176785778) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID176785778
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4)c3o2)cc1
InChIInChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)35-26-27-36(42-41(35)44-43(47-42)31-14-6-2-7-15-31)30-20-22-33(23-21-30)45(32-16-8-3-9-17-32)34-24-25-38-37-18-10-11-19-39(37)46-40(38)28-34/h1-28H
InChIKeyXCOOYECDKBIANG-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

N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
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-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
CID 170023425
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 176785778) is N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(-c2nc3c(-c4ccccc4)ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4)c3o2)cc1.
What is the InChIKey of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is XCOOYECDKBIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-4-12-29(13-5-1)35-26-27-36(42-41(35)44-43(47-42)31-14-6-2-7-15-31)30-20-22-33(23-21-30)45(32-16-8-3-9-17-32)34-24-25-38-37-18-10-11-19-39(37)46-40(38)28-34/h1-28H.
What are the key properties of N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine 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-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).