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

C52H33NS2 — CID 167325782

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-17-36-34(15-1)16-13-24-38(36)39-19-3-4-20-40(39)41-21-6-10-26-46(41)53(47-27-14-30-51-52(47)43-23-8-12-29-49(43)55-51)45-25-9-5-18-37(45)35-31-32-50-44(33-35)42-22-7-11-28-48(42)54-50/h1-33H
InChIKeyNRZYQWUKJJWKPV-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

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

N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167325782) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167325782
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NS2/c1-2-17-36-34(15-1)16-13-24-38(36)39-19-3-4-20-40(39)41-21-6-10-26-46(41)53(47-27-14-30-51-52(47)43-23-8-12-29-49(43)55-51)45-25-9-5-18-37(45)35-31-32-50-44(33-35)42-22-7-11-28-48(42)54-50/h1-33H
InChIKeyNRZYQWUKJJWKPV-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167326312
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 168767052
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324592
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738791
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325957

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine (CID 167325782) is N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is NRZYQWUKJJWKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-17-36-34(15-1)16-13-24-38(36)39-19-3-4-20-40(39)41-21-6-10-26-46(41)53(47-27-14-30-51-52(47)43-23-8-12-29-49(43)55-51)45-25-9-5-18-37(45)35-31-32-50-44(33-35)42-22-7-11-28-48(42)54-50/h1-33H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167325782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).