N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine

C56H35NS2 — CID 167396343

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1
InChIInChI=1S/C56H35NS2/c1-2-13-38(14-3-1)42-21-11-23-48-49-24-12-25-52(56(49)59-55(42)48)57(40-30-27-36(28-31-40)39-29-34-54-50(35-39)47-20-8-9-26-53(47)58-54)51-33-32-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H
InChIKeyHIUBQXYBRJKTHS-UHFFFAOYSA-N
MW786.04 g/mol
LogP17.20
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine (PubChem CID 167396343) has the molecular formula C56H35NS2 and a molecular weight of 786.04 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
PubChem CID167396343
Molecular FormulaC56H35NS2
Molecular Weight786.04 g/mol
Exact Mass785.22
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1
InChIInChI=1S/C56H35NS2/c1-2-13-38(14-3-1)42-21-11-23-48-49-24-12-25-52(56(49)59-55(42)48)57(40-30-27-36(28-31-40)39-29-34-54-50(35-39)47-20-8-9-26-53(47)58-54)51-33-32-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H
InChIKeyHIUBQXYBRJKTHS-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.04
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397609
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-8-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-2-phenyldibenzothiophen-4-amine
CID 163452638
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine (CID 167396343) is N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The InChIKey is HIUBQXYBRJKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS2/c1-2-13-38(14-3-1)42-21-11-23-48-49-24-12-25-52(56(49)59-55(42)48)57(40-30-27-36(28-31-40)39-29-34-54-50(35-39)47-20-8-9-26-53(47)58-54)51-33-32-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine has a molecular weight of 786.04 g/mol, XLogP of 17.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167396343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).