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

C47H30N2O2 — CID 177082451

IUPAC9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-2-11-31(12-3-1)35-15-8-16-38(30-35)49(37-27-25-33(26-28-37)36-24-23-32-13-4-5-14-34(32)29-36)42-20-9-17-39-45-40(18-10-22-44(45)50-46(39)42)47-48-41-19-6-7-21-43(41)51-47/h1-30H
InChIKeyBOFWLJDUXIRWJW-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

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

9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 177082451) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID177082451
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-2-11-31(12-3-1)35-15-8-16-38(30-35)49(37-27-25-33(26-28-37)36-24-23-32-13-4-5-14-34(32)29-36)42-20-9-17-39-45-40(18-10-22-44(45)50-46(39)42)47-48-41-19-6-7-21-43(41)51-47/h1-30H
InChIKeyBOFWLJDUXIRWJW-UHFFFAOYSA-N
XLogP13.35
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 513.35
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-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177082079
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 177082451) is 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)c2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is BOFWLJDUXIRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-2-11-31(12-3-1)35-15-8-16-38(30-35)49(37-27-25-33(26-28-37)36-24-23-32-13-4-5-14-34(32)29-36)42-20-9-17-39-45-40(18-10-22-44(45)50-46(39)42)47-48-41-19-6-7-21-43(41)51-47/h1-30H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 654.77 g/mol, XLogP of 13.35, 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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).