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

C37H24N2O2 — CID 177081823

IUPAC9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cccc(-c5nc6ccccc6o5)c4c23)cc1
InChIInChI=1S/C37H24N2O2/c1-3-13-25(14-4-1)27-17-7-9-20-30(27)39(26-15-5-2-6-16-26)31-21-12-24-34-36(31)35-28(18-11-23-33(35)40-34)37-38-29-19-8-10-22-32(29)41-37/h1-24H
InChIKeyULFQFSQTGUMCGA-UHFFFAOYSA-N
MW528.61 g/mol
LogP10.53
Rot. Bonds5

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

9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 177081823) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID177081823
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cccc(-c5nc6ccccc6o5)c4c23)cc1
InChIInChI=1S/C37H24N2O2/c1-3-13-25(14-4-1)27-17-7-9-20-30(27)39(26-15-5-2-6-16-26)31-21-12-24-34-36(31)35-28(18-11-23-33(35)40-34)37-38-29-19-8-10-22-32(29)41-37/h1-24H
InChIKeyULFQFSQTGUMCGA-UHFFFAOYSA-N
XLogP10.53
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
CID 88592158
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
CID 171754446
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
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

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine (CID 177081823) is 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cccc(-c5nc6ccccc6o5)c4c23)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is ULFQFSQTGUMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c1-3-13-25(14-4-1)27-17-7-9-20-30(27)39(26-15-5-2-6-16-26)31-21-12-24-34-36(31)35-28(18-11-23-33(35)40-34)37-38-29-19-8-10-22-32(29)41-37/h1-24H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine?
9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 528.61 g/mol, XLogP of 10.53, 5 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-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177081823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).