9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C43H28N2O2 — CID 177081472

IUPAC9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-3-11-29(12-4-1)31-21-23-33(24-22-31)45(34-16-9-15-32(27-34)30-13-5-2-6-14-30)35-25-26-39-37(28-35)42-36(17-10-20-41(42)46-39)43-44-38-18-7-8-19-40(38)47-43/h1-28H
InChIKeyTXNQWLBXOPQACB-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.20
Rot. Bonds6

About 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177081472) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177081472
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cc2)cc1
InChIInChI=1S/C43H28N2O2/c1-3-11-29(12-4-1)31-21-23-33(24-22-31)45(34-16-9-15-32(27-34)30-13-5-2-6-14-30)35-25-26-39-37(28-35)42-36(17-10-20-41(42)46-39)43-44-38-18-7-8-19-40(38)47-43/h1-28H
InChIKeyTXNQWLBXOPQACB-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

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177082126
N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167125406
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
CID 177082233
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 177081876
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177081472) is 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cc2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is TXNQWLBXOPQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-3-11-29(12-4-1)31-21-23-33(24-22-31)45(34-16-9-15-32(27-34)30-13-5-2-6-14-30)35-25-26-39-37(28-35)42-36(17-10-20-41(42)46-39)43-44-38-18-7-8-19-40(38)47-43/h1-28H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-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 9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177081472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).