N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine

C43H26N2O2S — CID 175613470

IUPACN-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(-c5nc6ccccc6o5)cc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2O2S/c1-2-8-27(9-3-1)28-14-17-30(18-15-28)45(31-20-22-39-35(25-31)33-10-4-6-12-38(33)46-39)32-19-21-34-36-24-29(16-23-41(36)48-42(34)26-32)43-44-37-11-5-7-13-40(37)47-43/h1-26H
InChIKeyJUDYWTZXHZMMAD-UHFFFAOYSA-N
MW634.76 g/mol
LogP12.90
Rot. Bonds5

About N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine

N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 175613470) has the molecular formula C43H26N2O2S and a molecular weight of 634.76 g/mol. Its IUPAC name is N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID175613470
Molecular FormulaC43H26N2O2S
Molecular Weight634.76 g/mol
Exact Mass634.17
IUPAC NameN-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(-c5nc6ccccc6o5)cc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2O2S/c1-2-8-27(9-3-1)28-14-17-30(18-15-28)45(31-20-22-39-35(25-31)33-10-4-6-12-38(33)46-39)32-19-21-34-36-24-29(16-23-41(36)48-42(34)26-32)43-44-37-11-5-7-13-40(37)47-43/h1-26H
InChIKeyJUDYWTZXHZMMAD-UHFFFAOYSA-N
XLogP12.90
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-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

N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine
CID 171755213
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-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127

Frequently Asked Questions

What is the IUPAC name of N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 175613470) is N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(-c5nc6ccccc6o5)cc34)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is JUDYWTZXHZMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2S/c1-2-8-27(9-3-1)28-14-17-30(18-15-28)45(31-20-22-39-35(25-31)33-10-4-6-12-38(33)46-39)32-19-21-34-36-24-29(16-23-41(36)48-42(34)26-32)43-44-37-11-5-7-13-40(37)47-43/h1-26H.
What are the key properties of N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 634.76 g/mol, XLogP of 12.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 175613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).