9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C47H28N2O3 — CID 177081618

IUPAC9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5nc6cc7ccccc7cc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-10-29(11-3-1)30-20-22-33(23-21-30)49(39-16-9-19-42-46(39)35-14-6-7-17-40(35)50-42)34-24-25-36-43(28-34)51-41-18-8-15-37(45(36)41)47-48-38-26-31-12-4-5-13-32(31)27-44(38)52-47/h1-28H
InChIKeyOJUCLNYLFFPBBE-UHFFFAOYSA-N
MW668.75 g/mol
LogP13.58
Rot. Bonds5

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

9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177081618) has the molecular formula C47H28N2O3 and a molecular weight of 668.75 g/mol. Its IUPAC name is 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID177081618
Molecular FormulaC47H28N2O3
Molecular Weight668.75 g/mol
Exact Mass668.21
IUPAC Name9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5nc6cc7ccccc7cc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H28N2O3/c1-2-10-29(11-3-1)30-20-22-33(23-21-30)49(39-16-9-19-42-46(39)35-14-6-7-17-40(35)50-42)34-24-25-36-43(28-34)51-41-18-8-15-37(45(36)41)47-48-38-26-31-12-4-5-13-32(31)27-44(38)52-47/h1-28H
InChIKeyOJUCLNYLFFPBBE-UHFFFAOYSA-N
XLogP13.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081354
9-benzo[f][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-4-yl-N-phenyldibenzofuran-3-amine
CID 177082084
N-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]-9-naphtho[2,3-f][1,3]benzoxazol-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082081
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177082281
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-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
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406

Frequently Asked Questions

What is the IUPAC name of 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 177081618) is 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5nc6cc7ccccc7cc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is OJUCLNYLFFPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O3/c1-2-10-29(11-3-1)30-20-22-33(23-21-30)49(39-16-9-19-42-46(39)35-14-6-7-17-40(35)50-42)34-24-25-36-43(28-34)51-41-18-8-15-37(45(36)41)47-48-38-26-31-12-4-5-13-32(31)27-44(38)52-47/h1-28H.
What are the key properties of 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 668.75 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177081618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).