N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine

C55H32N2O3 — CID 171410290

IUPACN-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESc1ccc2cc(-c3nc4c(ccc5cc(-c6ccc7c(N(c8ccc9oc%10ccccc%10c9c8)c8cccc9oc%10ccccc%10c89)cccc7c6)ccc54)o3)ccc2c1
InChIInChI=1S/C55H32N2O3/c1-2-10-34-31-39(20-19-33(34)9-1)55-56-54-42-26-22-36(30-38(42)23-27-52(54)60-55)35-21-25-41-37(29-35)11-7-14-46(41)57(40-24-28-50-45(32-40)43-12-3-5-16-48(43)58-50)47-15-8-18-51-53(47)44-13-4-6-17-49(44)59-51/h1-32H
InChIKeyIKAFPHGDCQAYCR-UHFFFAOYSA-N
MW768.87 g/mol
LogP15.89
Rot. Bonds5

About N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine

N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine (PubChem CID 171410290) has the molecular formula C55H32N2O3 and a molecular weight of 768.87 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
PubChem CID171410290
Molecular FormulaC55H32N2O3
Molecular Weight768.87 g/mol
Exact Mass768.24
IUPAC NameN-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESc1ccc2cc(-c3nc4c(ccc5cc(-c6ccc7c(N(c8ccc9oc%10ccccc%10c9c8)c8cccc9oc%10ccccc%10c89)cccc7c6)ccc54)o3)ccc2c1
InChIInChI=1S/C55H32N2O3/c1-2-10-34-31-39(20-19-33(34)9-1)55-56-54-42-26-22-36(30-38(42)23-27-52(54)60-55)35-21-25-41-37(29-35)11-7-14-46(41)57(40-24-28-50-45(32-40)43-12-3-5-16-48(43)58-50)47-15-8-18-51-53(47)44-13-4-6-17-49(44)59-51/h1-32H
InChIKeyIKAFPHGDCQAYCR-UHFFFAOYSA-N
XLogP15.89
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.87
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
CID 170424938
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine
CID 170425064
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 176785451
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine (CID 171410290) is N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine is c1ccc2cc(-c3nc4c(ccc5cc(-c6ccc7c(N(c8ccc9oc%10ccccc%10c9c8)c8cccc9oc%10ccccc%10c89)cccc7c6)ccc54)o3)ccc2c1.
What is the InChIKey of N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The InChIKey is IKAFPHGDCQAYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2O3/c1-2-10-34-31-39(20-19-33(34)9-1)55-56-54-42-26-22-36(30-38(42)23-27-52(54)60-55)35-21-25-41-37(29-35)11-7-14-46(41)57(40-24-28-50-45(32-40)43-12-3-5-16-48(43)58-50)47-15-8-18-51-53(47)44-13-4-6-17-49(44)59-51/h1-32H.
What are the key properties of N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine?
N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine has a molecular weight of 768.87 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine is sourced from PubChem (CID 171410290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).