4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine

C53H33N3O3 — CID 170248031

IUPAC4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3o2)cc1
InChIInChI=1S/C53H33N3O3/c1-4-14-34(15-5-1)53-54-51-46(56(37-18-8-3-9-19-37)40-26-29-50-45(33-40)43-21-11-13-23-48(43)58-50)31-35-30-38(24-27-41(35)52(51)59-53)55(36-16-6-2-7-17-36)39-25-28-49-44(32-39)42-20-10-12-22-47(42)57-49/h1-33H
InChIKeyUTSONOIQUQCRNK-UHFFFAOYSA-N
MW759.87 g/mol
LogP15.39
Rot. Bonds7

About 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine

4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine (PubChem CID 170248031) has the molecular formula C53H33N3O3 and a molecular weight of 759.87 g/mol. Its IUPAC name is 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine.

Molecular Properties

Compound Name4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
PubChem CID170248031
Molecular FormulaC53H33N3O3
Molecular Weight759.87 g/mol
Exact Mass759.25
IUPAC Name4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3o2)cc1
InChIInChI=1S/C53H33N3O3/c1-4-14-34(15-5-1)53-54-51-46(56(37-18-8-3-9-19-37)40-26-29-50-45(33-40)43-21-11-13-23-48(43)58-50)31-35-30-38(24-27-41(35)52(51)59-53)55(36-16-6-2-7-17-36)39-25-28-49-44(32-39)42-20-10-12-22-47(42)57-49/h1-33H
InChIKeyUTSONOIQUQCRNK-UHFFFAOYSA-N
XLogP15.39
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.87
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-4-amine
CID 170023425
N-dibenzofuran-2-yl-N,4-diphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16(21),17,19-decaen-18-amine
CID 170122319
3-N-dibenzofuran-2-yl-3-N-(3-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 171747487
3-N-dibenzofuran-2-yl-1-N-(3-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171747502
4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
9-N-dibenzofuran-2-yl-4-N-dibenzothiophen-4-yl-4-N,9-N,2-triphenylbenzo[g][1,3]benzoxazole-4,9-diamine
CID 170248032
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
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
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,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
CID 170247640
2-[3-[N-dibenzofuran-2-yl-4-(2-phenylphenyl)anilino]phenyl]-N,N-diphenylphenanthro[10,9-d][1,3]oxazol-6-amine
CID 171747477

Frequently Asked Questions

What is the IUPAC name of 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine?
The IUPAC name of 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine (CID 170248031) is 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine.
What is the SMILES notation for 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine?
The canonical SMILES for 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4c3o2)cc1.
What is the InChIKey of 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine?
The InChIKey is UTSONOIQUQCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O3/c1-4-14-34(15-5-1)53-54-51-46(56(37-18-8-3-9-19-37)40-26-29-50-45(33-40)43-21-11-13-23-48(43)58-50)31-35-30-38(24-27-41(35)52(51)59-53)55(36-16-6-2-7-17-36)39-25-28-49-44(32-39)42-20-10-12-22-47(42)57-49/h1-33H.
What are the key properties of 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine?
4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine has a molecular weight of 759.87 g/mol, XLogP of 15.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine is sourced from PubChem (CID 170248031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).