N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline

C55H34N2O2S — CID 167127935

IUPACN-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C55H34N2O2S/c1-3-13-35(14-4-1)39-17-11-18-42(33-39)57(40-29-25-36(26-30-40)43-21-12-22-46-45-20-8-10-24-50(45)60-54(43)46)41-31-27-37(28-32-41)51-52-47(44-19-7-9-23-49(44)58-52)34-48-53(51)59-55(56-48)38-15-5-2-6-16-38/h1-34H
InChIKeyJPRGAZWEHKGVQK-UHFFFAOYSA-N
MW786.96 g/mol
LogP16.23
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline

N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline (PubChem CID 167127935) has the molecular formula C55H34N2O2S and a molecular weight of 786.96 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
PubChem CID167127935
Molecular FormulaC55H34N2O2S
Molecular Weight786.96 g/mol
Exact Mass786.23
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C55H34N2O2S/c1-3-13-35(14-4-1)39-17-11-18-42(33-39)57(40-29-25-36(26-30-40)43-21-12-22-46-45-20-8-10-24-50(45)60-54(43)46)41-31-27-37(28-32-41)51-52-47(44-19-7-9-23-49(44)58-52)34-48-53(51)59-55(56-48)38-15-5-2-6-16-38/h1-34H
InChIKeyJPRGAZWEHKGVQK-UHFFFAOYSA-N
XLogP16.23
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127343
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167128468
N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 171456571
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129750
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzoxazol-5-amine
CID 171411809
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
3-dibenzothiophen-4-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123440

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline (CID 167127935) is N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline?
The InChIKey is JPRGAZWEHKGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O2S/c1-3-13-35(14-4-1)39-17-11-18-42(33-39)57(40-29-25-36(26-30-40)43-21-12-22-46-45-20-8-10-24-50(45)60-54(43)46)41-31-27-37(28-32-41)51-52-47(44-19-7-9-23-49(44)58-52)34-48-53(51)59-55(56-48)38-15-5-2-6-16-38/h1-34H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline?
N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline has a molecular weight of 786.96 g/mol, XLogP of 16.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline is sourced from PubChem (CID 167127935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).