9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine

C51H30N2O3 — CID 177081350

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)c5cccc6oc7ccccc7c56)ccc4c3)ccc2c1
InChIInChI=1S/C51H30N2O3/c1-2-10-32-27-33(20-19-31(32)9-1)34-21-22-36-29-37(24-23-35(36)28-34)53(43-14-8-18-47-50(43)39-11-3-5-15-44(39)54-47)38-25-26-40-48(30-38)55-46-17-7-12-41(49(40)46)51-52-42-13-4-6-16-45(42)56-51/h1-30H
InChIKeyLTWYLCJDLAGFLD-UHFFFAOYSA-N
MW718.81 g/mol
LogP14.74
Rot. Bonds5

About 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine (PubChem CID 177081350) has the molecular formula C51H30N2O3 and a molecular weight of 718.81 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
PubChem CID177081350
Molecular FormulaC51H30N2O3
Molecular Weight718.81 g/mol
Exact Mass718.23
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESc1ccc2cc(-c3ccc4cc(N(c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)c5cccc6oc7ccccc7c56)ccc4c3)ccc2c1
InChIInChI=1S/C51H30N2O3/c1-2-10-32-27-33(20-19-31(32)9-1)34-21-22-36-29-37(24-23-35(36)28-34)53(43-14-8-18-47-50(43)39-11-3-5-15-44(39)54-47)38-25-26-40-48(30-38)55-46-17-7-12-41(49(40)46)51-52-42-13-4-6-16-45(42)56-51/h1-30H
InChIKeyLTWYLCJDLAGFLD-UHFFFAOYSA-N
XLogP14.74
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.81
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-benzo[f][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081618
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-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081354
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-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine (CID 177081350) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine is c1ccc2cc(-c3ccc4cc(N(c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)c5cccc6oc7ccccc7c56)ccc4c3)ccc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The InChIKey is LTWYLCJDLAGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O3/c1-2-10-32-27-33(20-19-31(32)9-1)34-21-22-36-29-37(24-23-35(36)28-34)53(43-14-8-18-47-50(43)39-11-3-5-15-44(39)54-47)38-25-26-40-48(30-38)55-46-17-7-12-41(49(40)46)51-52-42-13-4-6-16-45(42)56-51/h1-30H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine has a molecular weight of 718.81 g/mol, XLogP of 14.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177081350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).