N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C54H35NOS — CID 171435294

IUPACN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-11-36(12-4-1)37-19-21-38(22-20-37)39-23-28-43(29-24-39)55(44-30-25-40(26-31-44)42-27-34-52-49(35-42)47-16-8-10-18-51(47)57-52)53-45(41-13-5-2-6-14-41)32-33-48-46-15-7-9-17-50(46)56-54(48)53/h1-35H
InChIKeyOLLYNTOHUVPZGW-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

About N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 171435294) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID171435294
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-11-36(12-4-1)37-19-21-38(22-20-37)39-23-28-43(29-24-39)55(44-30-25-40(26-31-44)42-27-34-52-49(35-42)47-16-8-10-18-51(47)57-52)53-45(41-13-5-2-6-14-41)32-33-48-46-15-7-9-17-50(46)56-54(48)53/h1-35H
InChIKeyOLLYNTOHUVPZGW-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435096
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 171434720
3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171435238
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435470
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 171435294) is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is OLLYNTOHUVPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-11-36(12-4-1)37-19-21-38(22-20-37)39-23-28-43(29-24-39)55(44-30-25-40(26-31-44)42-27-34-52-49(35-42)47-16-8-10-18-51(47)57-52)53-45(41-13-5-2-6-14-41)32-33-48-46-15-7-9-17-50(46)56-54(48)53/h1-35H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 745.95 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 171435294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).