5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine

C43H29N3O2 — CID 170247817

IUPAC5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2nc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3o2)cc1
InChIInChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-37-28-34(29-39(42(37)48-43)45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)46(33-22-11-4-12-23-33)38-26-15-25-36-35-24-13-14-27-40(35)47-41(36)38/h1-29H
InChIKeyBAECYWCBFSLJRI-UHFFFAOYSA-N
MW619.72 g/mol
LogP12.33
Rot. Bonds7

About 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine

5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine (PubChem CID 170247817) has the molecular formula C43H29N3O2 and a molecular weight of 619.72 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
PubChem CID170247817
Molecular FormulaC43H29N3O2
Molecular Weight619.72 g/mol
Exact Mass619.23
IUPAC Name5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2nc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3o2)cc1
InChIInChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-37-28-34(29-39(42(37)48-43)45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)46(33-22-11-4-12-23-33)38-26-15-25-36-35-24-13-14-27-40(35)47-41(36)38/h1-29H
InChIKeyBAECYWCBFSLJRI-UHFFFAOYSA-N
XLogP12.33
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.72
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247788
5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247879
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
N,N,2-triphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127377
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-5-amine
CID 177119804

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine?
The IUPAC name of 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine (CID 170247817) is 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine.
What is the SMILES notation for 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine?
The canonical SMILES for 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine is c1ccc(-c2nc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3o2)cc1.
What is the InChIKey of 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine?
The InChIKey is BAECYWCBFSLJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-37-28-34(29-39(42(37)48-43)45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)46(33-22-11-4-12-23-33)38-26-15-25-36-35-24-13-14-27-40(35)47-41(36)38/h1-29H.
What are the key properties of 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine?
5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine has a molecular weight of 619.72 g/mol, XLogP of 12.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine is sourced from PubChem (CID 170247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).