N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine

C52H33NOS — CID 167234447

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-22-49-52(46)44-19-6-8-21-48(44)54-49)41-17-10-16-37(31-41)39-27-29-51-45(32-39)43-18-7-9-23-50(43)55-51/h1-33H
InChIKeyAAFOZGGCLBGLSM-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167234447) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
PubChem CID167234447
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-22-49-52(46)44-19-6-8-21-48(44)54-49)41-17-10-16-37(31-41)39-27-29-51-45(32-39)43-18-7-9-23-50(43)55-51/h1-33H
InChIKeyAAFOZGGCLBGLSM-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-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155187018
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234029
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine (CID 167234447) is N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is AAFOZGGCLBGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-22-49-52(46)44-19-6-8-21-48(44)54-49)41-17-10-16-37(31-41)39-27-29-51-45(32-39)43-18-7-9-23-50(43)55-51/h1-33H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-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-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167234447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).