N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine

C52H33NOS — CID 167325957

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-15-35-32-36(29-28-34(35)14-1)38-16-3-4-18-40(38)41-19-6-10-23-46(41)53(47-24-13-27-51-52(47)43-21-8-12-26-50(43)55-51)45-22-9-5-17-39(45)37-30-31-49-44(33-37)42-20-7-11-25-48(42)54-49/h1-33H
InChIKeyHQIZALVVQWTBPS-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine

N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167325957) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167325957
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-15-35-32-36(29-28-34(35)14-1)38-16-3-4-18-40(38)41-19-6-10-23-46(41)53(47-24-13-27-51-52(47)43-21-8-12-26-50(43)55-51)45-22-9-5-17-39(45)37-30-31-49-44(33-37)42-20-7-11-25-48(42)54-49/h1-33H
InChIKeyHQIZALVVQWTBPS-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

Analyze N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167235873
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167326312
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167325122
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300578
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555
N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186614
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325782
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 167325957) is N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is HQIZALVVQWTBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-15-35-32-36(29-28-34(35)14-1)38-16-3-4-18-40(38)41-19-6-10-23-46(41)53(47-24-13-27-51-52(47)43-21-8-12-26-50(43)55-51)45-22-9-5-17-39(45)37-30-31-49-44(33-37)42-20-7-11-25-48(42)54-49/h1-33H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-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-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167325957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).