N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C45H26N2O3 — CID 177081283

IUPACN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c2oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)cc1
InChIInChI=1S/C45H26N2O3/c1-2-12-29(13-3-1)47(30-22-25-37-35(26-30)41-31-14-6-4-10-27(31)20-23-39(41)48-37)36-18-8-16-33-42-34(17-9-19-38(42)49-44(33)36)45-46-43-32-15-7-5-11-28(32)21-24-40(43)50-45/h1-26H
InChIKeyJLPBJIWGYNQKMI-UHFFFAOYSA-N
MW642.71 g/mol
LogP13.07
Rot. Bonds4

About N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 177081283) has the molecular formula C45H26N2O3 and a molecular weight of 642.71 g/mol. Its IUPAC name is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID177081283
Molecular FormulaC45H26N2O3
Molecular Weight642.71 g/mol
Exact Mass642.19
IUPAC NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c2oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)cc1
InChIInChI=1S/C45H26N2O3/c1-2-12-29(13-3-1)47(30-22-25-37-35(26-30)41-31-14-6-4-10-27(31)20-23-39(41)48-37)36-18-8-16-33-42-34(17-9-19-38(42)49-44(33)36)45-46-43-32-15-7-5-11-28(32)21-24-40(43)50-45/h1-26H
InChIKeyJLPBJIWGYNQKMI-UHFFFAOYSA-N
XLogP13.07
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 177081747
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
9-benzo[e][1,3]benzoxazol-2-yl-N-(2-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 177081954
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
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-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167125406
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-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
CID 177081884

Frequently Asked Questions

What is the IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 177081283) is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is c1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c2oc2cccc(-c4nc5c(ccc6ccccc65)o4)c23)cc1.
What is the InChIKey of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is JLPBJIWGYNQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O3/c1-2-12-29(13-3-1)47(30-22-25-37-35(26-30)41-31-14-6-4-10-27(31)20-23-39(41)48-37)36-18-8-16-33-42-34(17-9-19-38(42)49-44(33)36)45-46-43-32-15-7-5-11-28(32)21-24-40(43)50-45/h1-26H.
What are the key properties of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 642.71 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-4-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 177081283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).