N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine

C43H26N2O2S — CID 171455606

IUPACN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)ccc24)cc1
InChIInChI=1S/C43H26N2O2S/c1-3-9-28(10-4-1)43-44-37-25-36-35-21-17-29(23-41(35)48-42(36)26-40(37)47-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-34-33-13-7-8-14-38(33)46-39(34)24-32/h1-26H
InChIKeyOYBIFBVSOHBEFV-UHFFFAOYSA-N
MW634.76 g/mol
LogP12.90
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine (PubChem CID 171455606) has the molecular formula C43H26N2O2S and a molecular weight of 634.76 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
PubChem CID171455606
Molecular FormulaC43H26N2O2S
Molecular Weight634.76 g/mol
Exact Mass634.17
IUPAC NameN-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)ccc24)cc1
InChIInChI=1S/C43H26N2O2S/c1-3-9-28(10-4-1)43-44-37-25-36-35-21-17-29(23-41(35)48-42(36)26-40(37)47-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-34-33-13-7-8-14-38(33)46-39(34)24-32/h1-26H
InChIKeyOYBIFBVSOHBEFV-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

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
3-phenyl-4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171455668
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171455497
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
CID 171456518
N-dibenzothiophen-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171456458
N-[8-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 175613470
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
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine (CID 171455606) is N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3cc4c(cc3o2)sc2cc(-c3ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc3)ccc24)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is OYBIFBVSOHBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2S/c1-3-9-28(10-4-1)43-44-37-25-36-35-21-17-29(23-41(35)48-42(36)26-40(37)47-43)27-15-18-31(19-16-27)45(30-11-5-2-6-12-30)32-20-22-34-33-13-7-8-14-38(33)46-39(34)24-32/h1-26H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-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-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171455606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).