9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine

C45H28N2O2 — CID 177081954

IUPAC9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H28N2O2/c1-2-14-33(15-3-1)47(39-19-9-8-16-35(39)32-22-21-29-11-4-5-13-31(29)27-32)34-24-25-37-42(28-34)48-40-20-10-18-38(43(37)40)45-46-44-36-17-7-6-12-30(36)23-26-41(44)49-45/h1-28H
InChIKeyCSTFYSTVTQLOBD-UHFFFAOYSA-N
MW628.73 g/mol
LogP12.84
Rot. Bonds5

About 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine

9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 177081954) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID177081954
Molecular FormulaC45H28N2O2
Molecular Weight628.73 g/mol
Exact Mass628.22
IUPAC Name9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H28N2O2/c1-2-14-33(15-3-1)47(39-19-9-8-16-35(39)32-22-21-29-11-4-5-13-31(29)27-32)34-24-25-37-42(28-34)48-40-20-10-18-38(43(37)40)45-46-44-36-17-7-6-12-30(36)23-26-41(44)49-45/h1-28H
InChIKeyCSTFYSTVTQLOBD-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 177081747
2-[3-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 171410331
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[e][1,3]benzoxazol-2-yl-N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177081245
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
CID 177082233
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177081283
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355

Frequently Asked Questions

What is the IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine (CID 177081954) is 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)c2ccccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is CSTFYSTVTQLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-2-14-33(15-3-1)47(39-19-9-8-16-35(39)32-22-21-29-11-4-5-13-31(29)27-32)34-24-25-37-42(28-34)48-40-20-10-18-38(43(37)40)45-46-44-36-17-7-6-12-30(36)23-26-41(44)49-45/h1-28H.
What are the key properties of 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 628.73 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 177081954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).