N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine

C52H33NOS — CID 167234545

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-26-23-39(38-22-21-34-11-4-5-14-36(34)29-38)31-48(43)53(42-25-28-47-46-18-7-9-20-51(46)55-52(47)33-42)41-16-10-15-37(30-41)40-24-27-45-44-17-6-8-19-49(44)54-50(45)32-40/h1-33H
InChIKeyXJPADULHWCXAFT-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine

N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 167234545) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID167234545
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-26-23-39(38-22-21-34-11-4-5-14-36(34)29-38)31-48(43)53(42-25-28-47-46-18-7-9-20-51(46)55-52(47)33-42)41-16-10-15-37(30-41)40-24-27-45-44-17-6-8-19-49(44)54-50(45)32-40/h1-33H
InChIKeyXJPADULHWCXAFT-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-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167235873
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
CID 170065793

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine (CID 167234545) is N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is XJPADULHWCXAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-26-23-39(38-22-21-34-11-4-5-14-36(34)29-38)31-48(43)53(42-25-28-47-46-18-7-9-20-51(46)55-52(47)33-42)41-16-10-15-37(30-41)40-24-27-45-44-17-6-8-19-49(44)54-50(45)32-40/h1-33H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-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-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167234545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).