N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine

C40H25NS2 — CID 167325431

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H25NS2/c1-2-14-27-26(12-1)13-9-21-33(27)41(35-22-11-25-38-39(35)32-17-5-8-24-37(32)42-38)34-20-6-3-15-28(34)30-18-10-19-31-29-16-4-7-23-36(29)43-40(30)31/h1-25H
InChIKeyXNBJXQQNSMKAIB-UHFFFAOYSA-N
MW583.78 g/mol
LogP12.71
Rot. Bonds4

About N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine (PubChem CID 167325431) has the molecular formula C40H25NS2 and a molecular weight of 583.78 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
PubChem CID167325431
Molecular FormulaC40H25NS2
Molecular Weight583.78 g/mol
Exact Mass583.14
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H25NS2/c1-2-14-27-26(12-1)13-9-21-33(27)41(35-22-11-25-38-39(35)32-17-5-8-24-37(32)42-38)34-20-6-3-15-28(34)30-18-10-19-31-29-16-4-7-23-36(29)43-40(30)31/h1-25H
InChIKeyXNBJXQQNSMKAIB-UHFFFAOYSA-N
XLogP12.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167325325
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167326312
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-(2-dibenzothiophen-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300378
N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325795
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325782
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739302
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine (CID 167325431) is N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine is c1ccc(N(c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine?
The InChIKey is XNBJXQQNSMKAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NS2/c1-2-14-27-26(12-1)13-9-21-33(27)41(35-22-11-25-38-39(35)32-17-5-8-24-37(32)42-38)34-20-6-3-15-28(34)30-18-10-19-31-29-16-4-7-23-36(29)43-40(30)31/h1-25H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine has a molecular weight of 583.78 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine is sourced from PubChem (CID 167325431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).