4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine

C49H33N3O2 — CID 170247586

IUPAC4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc(N(c4ccccc4)c4ccccc4)cc4oc(-c5ccccc5)nc34)c2)cc1
InChIInChI=1S/C49H33N3O2/c1-5-16-34(17-6-1)36-20-15-25-39(30-36)52(40-28-29-46-43(31-40)42-26-13-14-27-45(42)53-46)44-32-41(33-47-48(44)50-49(54-47)35-18-7-2-8-19-35)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-33H
InChIKeyINJIRSMPPITXDG-UHFFFAOYSA-N
MW695.82 g/mol
LogP14.00
Rot. Bonds8

About 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine

4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine (PubChem CID 170247586) has the molecular formula C49H33N3O2 and a molecular weight of 695.82 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
PubChem CID170247586
Molecular FormulaC49H33N3O2
Molecular Weight695.82 g/mol
Exact Mass695.26
IUPAC Name4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc(N(c4ccccc4)c4ccccc4)cc4oc(-c5ccccc5)nc34)c2)cc1
InChIInChI=1S/C49H33N3O2/c1-5-16-34(17-6-1)36-20-15-25-39(30-36)52(40-28-29-46-43(31-40)42-26-13-14-27-45(42)53-46)44-32-41(33-47-48(44)50-49(54-47)35-18-7-2-8-19-35)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-33H
InChIKeyINJIRSMPPITXDG-UHFFFAOYSA-N
XLogP14.00
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.82
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
CID 170247640
4-N-dibenzofuran-2-yl-6-N-(9,9-dimethylfluoren-2-yl)-6-N,2-diphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247584
6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
CID 170247666
4-N-dibenzofuran-2-yl-4-N,6-N,2-triphenyl-6-N-(9-phenylcarbazol-3-yl)-1,3-benzoxazole-4,6-diamine
CID 170247611
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
CID 170248031
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
4-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-7-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
CID 170248015
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
CID 170247915
N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171411486
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine (CID 170247586) is 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine is c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc(N(c4ccccc4)c4ccccc4)cc4oc(-c5ccccc5)nc34)c2)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
The InChIKey is INJIRSMPPITXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O2/c1-5-16-34(17-6-1)36-20-15-25-39(30-36)52(40-28-29-46-43(31-40)42-26-13-14-27-45(42)53-46)44-32-41(33-47-48(44)50-49(54-47)35-18-7-2-8-19-35)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-33H.
What are the key properties of 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine?
4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine has a molecular weight of 695.82 g/mol, XLogP of 14.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine is sourced from PubChem (CID 170247586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).