N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine

C38H23N3O3 — CID 155402854

IUPACN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc5c4oc4ccccc45)cc3)nc2c1
InChIInChI=1S/C38H23N3O3/c1-4-13-33-28(8-1)29-9-7-12-32(36(29)42-33)41(26-20-16-24(17-21-26)37-39-30-10-2-5-14-34(30)43-37)27-22-18-25(19-23-27)38-40-31-11-3-6-15-35(31)44-38/h1-23H
InChIKeyYGXKNJAIYGWMBG-UHFFFAOYSA-N
MW569.62 g/mol
LogP10.67
Rot. Bonds5

About N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 155402854) has the molecular formula C38H23N3O3 and a molecular weight of 569.62 g/mol. Its IUPAC name is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID155402854
Molecular FormulaC38H23N3O3
Molecular Weight569.62 g/mol
Exact Mass569.17
IUPAC NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc5c4oc4ccccc45)cc3)nc2c1
InChIInChI=1S/C38H23N3O3/c1-4-13-33-28(8-1)29-9-7-12-32(36(29)42-33)41(26-20-16-24(17-21-26)37-39-30-10-2-5-14-34(30)43-37)27-22-18-25(19-23-27)38-40-31-11-3-6-15-35(31)44-38/h1-23H
InChIKeyYGXKNJAIYGWMBG-UHFFFAOYSA-N
XLogP10.67
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
2-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 175613378
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
CID 170247817
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
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
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine (CID 155402854) is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine is c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc5c4oc4ccccc45)cc3)nc2c1.
What is the InChIKey of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is YGXKNJAIYGWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O3/c1-4-13-33-28(8-1)29-9-7-12-32(36(29)42-33)41(26-20-16-24(17-21-26)37-39-30-10-2-5-14-34(30)43-37)27-22-18-25(19-23-27)38-40-31-11-3-6-15-35(31)44-38/h1-23H.
What are the key properties of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine?
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 569.62 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 155402854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).