N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine

C48H29NS3 — CID 164962758

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NS3/c1-6-18-45-36(11-1)39-14-8-15-42(48(39)52-45)49(34-23-19-30(20-24-34)32-21-25-46-40(28-32)37-12-2-4-16-43(37)50-46)35-10-7-9-31(27-35)33-22-26-47-41(29-33)38-13-3-5-17-44(38)51-47/h1-29H
InChIKeyLOINRTSMDLLBAL-UHFFFAOYSA-N
MW715.97 g/mol
LogP15.59
Rot. Bonds5

About N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 164962758) has the molecular formula C48H29NS3 and a molecular weight of 715.97 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID164962758
Molecular FormulaC48H29NS3
Molecular Weight715.97 g/mol
Exact Mass715.15
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C48H29NS3/c1-6-18-45-36(11-1)39-14-8-15-42(48(39)52-45)49(34-23-19-30(20-24-34)32-21-25-46-40(28-32)37-12-2-4-16-43(37)50-46)35-10-7-9-31(27-35)33-22-26-47-41(29-33)38-13-3-5-17-44(38)51-47/h1-29H
InChIKeyLOINRTSMDLLBAL-UHFFFAOYSA-N
XLogP15.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.97
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 165032773
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine (CID 164962758) is N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is LOINRTSMDLLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS3/c1-6-18-45-36(11-1)39-14-8-15-42(48(39)52-45)49(34-23-19-30(20-24-34)32-21-25-46-40(28-32)37-12-2-4-16-43(37)50-46)35-10-7-9-31(27-35)33-22-26-47-41(29-33)38-13-3-5-17-44(38)51-47/h1-29H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 715.97 g/mol, XLogP of 15.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164962758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).