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

C41H24N2O3 — CID 177081884

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cccc2c1
InChIInChI=1S/C41H24N2O3/c1-2-11-28-25(9-1)10-7-15-34(28)43(26-19-21-36-31(23-26)29-12-3-5-16-35(29)44-36)27-20-22-37-32(24-27)40-30(13-8-18-39(40)45-37)41-42-33-14-4-6-17-38(33)46-41/h1-24H
InChIKeyFWZIXKAWECYBKX-UHFFFAOYSA-N
MW592.65 g/mol
LogP11.92
Rot. Bonds4

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

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 177081884) has the molecular formula C41H24N2O3 and a molecular weight of 592.65 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
PubChem CID177081884
Molecular FormulaC41H24N2O3
Molecular Weight592.65 g/mol
Exact Mass592.18
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cccc2c1
InChIInChI=1S/C41H24N2O3/c1-2-11-28-25(9-1)10-7-15-34(28)43(26-19-21-36-31(23-26)29-12-3-5-16-35(29)44-36)27-20-22-37-32(24-27)40-30(13-8-18-39(40)45-37)41-42-33-14-4-6-17-38(33)46-41/h1-24H
InChIKeyFWZIXKAWECYBKX-UHFFFAOYSA-N
XLogP11.92
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.65
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
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-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
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
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-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939
11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 177081876
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
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-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine (CID 177081884) is 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine is c1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cccc(-c6nc7ccccc7o6)c5c4c3)cccc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine?
The InChIKey is FWZIXKAWECYBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O3/c1-2-11-28-25(9-1)10-7-15-34(28)43(26-19-21-36-31(23-26)29-12-3-5-16-35(29)44-36)27-20-22-37-32(24-27)40-30(13-8-18-39(40)45-37)41-42-33-14-4-6-17-38(33)46-41/h1-24H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 592.65 g/mol, XLogP of 11.92, 4 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-2-yl-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 177081884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).