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

C54H35NOS — CID 172502800

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NOS/c1-2-18-36(19-3-1)37-20-4-5-21-38(37)39-22-6-7-23-40(39)41-24-8-12-31-48(41)55(50-33-17-30-47-44-27-11-15-35-52(44)57-54(47)50)49-32-13-9-25-42(49)45-28-16-29-46-43-26-10-14-34-51(43)56-53(45)46/h1-35H
InChIKeyUNUXLEVLKFGCPB-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

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

N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine (PubChem CID 172502800) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
PubChem CID172502800
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C54H35NOS/c1-2-18-36(19-3-1)37-20-4-5-21-38(37)39-22-6-7-23-40(39)41-24-8-12-31-48(41)55(50-33-17-30-47-44-27-11-15-35-52(44)57-54(47)50)49-32-13-9-25-42(49)45-28-16-29-46-43-26-10-14-34-51(43)56-53(45)46/h1-35H
InChIKeyUNUXLEVLKFGCPB-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-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168788865
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-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
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-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine (CID 172502800) is N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The InChIKey is UNUXLEVLKFGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-2-18-36(19-3-1)37-20-4-5-21-38(37)39-22-6-7-23-40(39)41-24-8-12-31-48(41)55(50-33-17-30-47-44-27-11-15-35-52(44)57-54(47)50)49-32-13-9-25-42(49)45-28-16-29-46-43-26-10-14-34-51(43)56-53(45)46/h1-35H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]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-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 172502800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).