N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C48H31NS2 — CID 167397750

IUPACN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H31NS2/c1-3-11-32(12-4-1)33-21-26-37(27-22-33)49(38-28-23-34(24-29-38)36-25-30-46-43(31-36)40-15-7-8-20-45(40)50-46)44-19-10-18-42-41-17-9-16-39(47(41)51-48(42)44)35-13-5-2-6-14-35/h1-31H
InChIKeyQTDXUDJDKQWDLG-UHFFFAOYSA-N
MW685.92 g/mol
LogP14.89
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 167397750) has the molecular formula C48H31NS2 and a molecular weight of 685.92 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID167397750
Molecular FormulaC48H31NS2
Molecular Weight685.92 g/mol
Exact Mass685.19
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H31NS2/c1-3-11-32(12-4-1)33-21-26-37(27-22-33)49(38-28-23-34(24-29-38)36-25-30-46-43(31-36)40-15-7-8-20-45(40)50-46)44-19-10-18-42-41-17-9-16-39(47(41)51-48(42)44)35-13-5-2-6-14-35/h1-31H
InChIKeyQTDXUDJDKQWDLG-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.92
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397609
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 167397750) is N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is QTDXUDJDKQWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS2/c1-3-11-32(12-4-1)33-21-26-37(27-22-33)49(38-28-23-34(24-29-38)36-25-30-46-43(31-36)40-15-7-8-20-45(40)50-46)44-19-10-18-42-41-17-9-16-39(47(41)51-48(42)44)35-13-5-2-6-14-35/h1-31H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 685.92 g/mol, XLogP of 14.89, 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)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 167397750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).