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

C43H29N3O2 — CID 170247666

IUPAC6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3o2)cc1
InChIInChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-42-37(45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)28-34(29-40(42)48-43)46(33-22-11-4-12-23-33)36-25-15-27-39-41(36)35-24-13-14-26-38(35)47-39/h1-29H
InChIKeyYTPISWIPGLUXLW-UHFFFAOYSA-N
MW619.72 g/mol
LogP12.33
Rot. Bonds7

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

6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine (PubChem CID 170247666) has the molecular formula C43H29N3O2 and a molecular weight of 619.72 g/mol. Its IUPAC name is 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine.

Molecular Properties

Compound Name6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
PubChem CID170247666
Molecular FormulaC43H29N3O2
Molecular Weight619.72 g/mol
Exact Mass619.23
IUPAC Name6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine
SMILESc1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3o2)cc1
InChIInChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-42-37(45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)28-34(29-40(42)48-43)46(33-22-11-4-12-23-33)36-25-15-27-39-41(36)35-24-13-14-26-38(35)47-39/h1-29H
InChIKeyYTPISWIPGLUXLW-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

Analyze 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine with MolForge

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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,6-N,2-triphenyl-4-N-(3-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170247586
4-N,6-N-di(dibenzothiophen-4-yl)-6-N,2-diphenyl-4-N-(4-phenylphenyl)-1,3-benzoxazole-4,6-diamine
CID 170248158
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167124362
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785892
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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
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-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N,2-diphenyl-N-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167129776

Frequently Asked Questions

What is the IUPAC name of 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine?
The IUPAC name of 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine (CID 170247666) is 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine.
What is the SMILES notation for 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine?
The canonical SMILES for 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine is c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc3o2)cc1.
What is the InChIKey of 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine?
The InChIKey is YTPISWIPGLUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O2/c1-5-16-30(17-6-1)43-44-42-37(45(31-18-7-2-8-19-31)32-20-9-3-10-21-32)28-34(29-40(42)48-43)46(33-22-11-4-12-23-33)36-25-15-27-39-41(36)35-24-13-14-26-38(35)47-39/h1-29H.
What are the key properties of 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine?
6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-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 6-N-dibenzofuran-1-yl-4-N,4-N,6-N,2-tetraphenyl-1,3-benzoxazole-4,6-diamine is sourced from PubChem (CID 170247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).