4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine

C47H31N3O2 — CID 170247640

IUPAC4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4cccc5ccccc45)cc3o2)cc1
InChIInChI=1S/C47H31N3O2/c1-4-16-33(17-5-1)47-48-46-42(49(34-19-6-2-7-20-34)36-27-28-44-40(29-36)39-24-12-13-26-43(39)51-44)30-37(31-45(46)52-47)50(35-21-8-3-9-22-35)41-25-14-18-32-15-10-11-23-38(32)41/h1-31H
InChIKeyRYIKMBWHNDXFMT-UHFFFAOYSA-N
MW669.78 g/mol
LogP13.49
Rot. Bonds7

About 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine

4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine (PubChem CID 170247640) has the molecular formula C47H31N3O2 and a molecular weight of 669.78 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
PubChem CID170247640
Molecular FormulaC47H31N3O2
Molecular Weight669.78 g/mol
Exact Mass669.24
IUPAC Name4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4cccc5ccccc45)cc3o2)cc1
InChIInChI=1S/C47H31N3O2/c1-4-16-33(17-5-1)47-48-46-42(49(34-19-6-2-7-20-34)36-27-28-44-40(29-36)39-24-12-13-26-43(39)51-44)30-37(31-45(46)52-47)50(35-21-8-3-9-22-35)41-25-14-18-32-15-10-11-23-38(32)41/h1-31H
InChIKeyRYIKMBWHNDXFMT-UHFFFAOYSA-N
XLogP13.49
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.78
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-dibenzofuran-2-yl-6-N,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
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
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
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
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-N-dibenzofuran-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167123339
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
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
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine (CID 170247640) is 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4cccc5ccccc45)cc3o2)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine?
The InChIKey is RYIKMBWHNDXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O2/c1-4-16-33(17-5-1)47-48-46-42(49(34-19-6-2-7-20-34)36-27-28-44-40(29-36)39-24-12-13-26-43(39)51-44)30-37(31-45(46)52-47)50(35-21-8-3-9-22-35)41-25-14-18-32-15-10-11-23-38(32)41/h1-31H.
What are the key properties of 4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine?
4-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine has a molecular weight of 669.78 g/mol, XLogP of 13.49, 7 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-naphthalen-1-yl-4-N,6-N,2-triphenyl-1,3-benzoxazole-4,6-diamine is sourced from PubChem (CID 170247640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).