N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

C36H23NS2 — CID 154031425

IUPACN-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-31-29-10-4-6-12-33(29)38-35(31)22-27)28-19-21-32-30-11-5-7-13-34(30)39-36(32)23-28/h1-23H
InChIKeyCYCDXFRHVJIOPK-UHFFFAOYSA-N
MW533.72 g/mol
LogP11.56
Rot. Bonds4

About N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 154031425) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID154031425
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC NameN-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-31-29-10-4-6-12-33(29)38-35(31)22-27)28-19-21-32-30-11-5-7-13-34(30)39-36(32)23-28/h1-23H
InChIKeyCYCDXFRHVJIOPK-UHFFFAOYSA-N
XLogP11.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 142715334
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
5-bromo-1-N,3-N-di(dibenzothiophen-3-yl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551935
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 154031425) is N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is CYCDXFRHVJIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-18-20-31-29-10-4-6-12-33(29)38-35(31)22-27)28-19-21-32-30-11-5-7-13-34(30)39-36(32)23-28/h1-23H.
What are the key properties of N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 533.72 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 154031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).