N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine

C45H26N2O3 — CID 170425064

IUPACN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine
SMILESc1ccc2cc(-c3nc4ccc5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)c5c4o3)ccc2c1
InChIInChI=1S/C45H26N2O3/c1-2-9-29-24-30(17-16-27(29)8-1)45-46-37-22-18-28-10-7-13-38(43(28)44(37)50-45)47(31-20-23-41-36(25-31)34-12-4-6-15-40(34)48-41)32-19-21-35-33-11-3-5-14-39(33)49-42(35)26-32/h1-26H
InChIKeyLSNKDJSMKZYRBS-UHFFFAOYSA-N
MW642.71 g/mol
LogP13.07
Rot. Bonds4

About N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine

N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine (PubChem CID 170425064) has the molecular formula C45H26N2O3 and a molecular weight of 642.71 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine
PubChem CID170425064
Molecular FormulaC45H26N2O3
Molecular Weight642.71 g/mol
Exact Mass642.19
IUPAC NameN-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine
SMILESc1ccc2cc(-c3nc4ccc5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)c5c4o3)ccc2c1
InChIInChI=1S/C45H26N2O3/c1-2-9-29-24-30(17-16-27(29)8-1)45-46-37-22-18-28-10-7-13-38(43(28)44(37)50-45)47(31-20-23-41-36(25-31)34-12-4-6-15-40(34)48-41)32-19-21-35-33-11-3-5-14-39(33)49-42(35)26-32/h1-26H
InChIKeyLSNKDJSMKZYRBS-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,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
CID 174293870
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631630
N,N-di(dibenzofuran-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631324
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851617
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718428
N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)naphthalen-1-yl]dibenzofuran-3-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 167669562

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine (CID 170425064) is N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine is c1ccc2cc(-c3nc4ccc5cccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7oc8ccccc8c7c6)c5c4o3)ccc2c1.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine?
The InChIKey is LSNKDJSMKZYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O3/c1-2-9-29-24-30(17-16-27(29)8-1)45-46-37-22-18-28-10-7-13-38(43(28)44(37)50-45)47(31-20-23-41-36(25-31)34-12-4-6-15-40(34)48-41)32-19-21-35-33-11-3-5-14-39(33)49-42(35)26-32/h1-26H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine?
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-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-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine is sourced from PubChem (CID 170425064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).