7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine

C53H35N3O2 — CID 170247915

IUPAC7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4cc4oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C53H35N3O2/c1-5-15-36(16-6-1)37-25-27-42(28-26-37)56(41-21-11-4-12-22-41)52-45-31-29-43(33-39(45)34-50-51(52)54-53(58-50)38-17-7-2-8-18-38)55(40-19-9-3-10-20-40)44-30-32-49-47(35-44)46-23-13-14-24-48(46)57-49/h1-35H
InChIKeyNGANSMCNVCCJQF-UHFFFAOYSA-N
MW745.88 g/mol
LogP15.15
Rot. Bonds8

About 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine

7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine (PubChem CID 170247915) has the molecular formula C53H35N3O2 and a molecular weight of 745.88 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
PubChem CID170247915
Molecular FormulaC53H35N3O2
Molecular Weight745.88 g/mol
Exact Mass745.27
IUPAC Name7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4cc4oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C53H35N3O2/c1-5-15-36(16-6-1)37-25-27-42(28-26-37)56(41-21-11-4-12-22-41)52-45-31-29-43(33-39(45)34-50-51(52)54-53(58-50)38-17-7-2-8-18-38)55(40-19-9-3-10-20-40)44-30-32-49-47(35-44)46-23-13-14-24-48(46)57-49/h1-35H
InChIKeyNGANSMCNVCCJQF-UHFFFAOYSA-N
XLogP15.15
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.88
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129154
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129776
4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
4-N,7-N-di(dibenzofuran-2-yl)-4-N,7-N,2-triphenylbenzo[g][1,3]benzoxazole-4,7-diamine
CID 170248031
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine?
The IUPAC name of 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) is 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4cc4oc(-c5ccccc5)nc34)cc2)cc1.
What is the InChIKey of 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine?
The InChIKey is NGANSMCNVCCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O2/c1-5-15-36(16-6-1)37-25-27-42(28-26-37)56(41-21-11-4-12-22-41)52-45-31-29-43(33-39(45)34-50-51(52)54-53(58-50)38-17-7-2-8-18-38)55(40-19-9-3-10-20-40)44-30-32-49-47(35-44)46-23-13-14-24-48(46)57-49/h1-35H.
What are the key properties of 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine?
7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine has a molecular weight of 745.88 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-4-N,7-N,2-triphenyl-4-N-(4-phenylphenyl)benzo[f][1,3]benzoxazole-4,7-diamine is sourced from PubChem (CID 170247915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).