N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine

C52H33NOS — CID 167234398

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-30-28-37(39-22-12-17-34-16-4-5-18-38(34)39)33-48(41)53(47-25-13-23-44-43-21-8-11-27-51(43)55-52(44)47)46-24-9-6-19-40(46)36-29-31-50-45(32-36)42-20-7-10-26-49(42)54-50/h1-33H
InChIKeyOWUUNIGTFWAYLK-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine

N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 167234398) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
PubChem CID167234398
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-30-28-37(39-22-12-17-34-16-4-5-18-38(34)39)33-48(41)53(47-25-13-23-44-43-21-8-11-27-51(43)55-52(44)47)46-24-9-6-19-40(46)36-29-31-50-45(32-36)42-20-7-10-26-49(42)54-50/h1-33H
InChIKeyOWUUNIGTFWAYLK-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327
7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 170015914
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine (CID 167234398) is N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is OWUUNIGTFWAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-14-35(15-3-1)41-30-28-37(39-22-12-17-34-16-4-5-18-38(34)39)33-48(41)53(47-25-13-23-44-43-21-8-11-27-51(43)55-52(44)47)46-24-9-6-19-40(46)36-29-31-50-45(32-36)42-20-7-10-26-49(42)54-50/h1-33H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167234398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).