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

C54H35NOS — CID 168788865

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NOS/c1-3-18-36(19-4-1)38-22-7-8-26-43(38)52-39(37-20-5-2-6-21-37)27-16-32-48(52)55(49-33-17-30-46-42-25-11-14-35-51(42)57-54(46)49)47-31-12-9-23-40(47)44-28-15-29-45-41-24-10-13-34-50(41)56-53(44)45/h1-35H
InChIKeyLTZLUNRTGUJYDM-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

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

N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168788865) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168788865
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NOS/c1-3-18-36(19-4-1)38-22-7-8-26-43(38)52-39(37-20-5-2-6-21-37)27-16-32-48(52)55(49-33-17-30-46-42-25-11-14-35-51(42)57-54(46)49)47-31-12-9-23-40(47)44-28-15-29-45-41-24-10-13-34-50(41)56-53(44)45/h1-35H
InChIKeyLTZLUNRTGUJYDM-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-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168788865) is N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is LTZLUNRTGUJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-18-36(19-4-1)38-22-7-8-26-43(38)52-39(37-20-5-2-6-21-37)27-16-32-48(52)55(49-33-17-30-46-42-25-11-14-35-51(42)57-54(46)49)47-31-12-9-23-40(47)44-28-15-29-45-41-24-10-13-34-50(41)56-53(44)45/h1-35H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-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-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168788865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).