6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine

C42H27ClN2S2 — CID 146551054

IUPAC6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
SMILESClc1ccc(N(c2ccccc2)c2cccc3c2sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2c1sc1ccccc12
InChIInChI=1S/C42H27ClN2S2/c43-35-24-25-36(40-33-19-10-11-22-38(33)47-42(35)40)45(30-17-8-3-9-18-30)37-21-12-20-32-34-27-31(23-26-39(34)46-41(32)37)44(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-27H
InChIKeyGCBXSBWDLGNECV-UHFFFAOYSA-N
MW659.28 g/mol
LogP14.02
Rot. Bonds6

About 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine

6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine (PubChem CID 146551054) has the molecular formula C42H27ClN2S2 and a molecular weight of 659.28 g/mol. Its IUPAC name is 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
PubChem CID146551054
Molecular FormulaC42H27ClN2S2
Molecular Weight659.28 g/mol
Exact Mass658.13
IUPAC Name6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
SMILESClc1ccc(N(c2ccccc2)c2cccc3c2sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2c1sc1ccccc12
InChIInChI=1S/C42H27ClN2S2/c43-35-24-25-36(40-33-19-10-11-22-38(33)47-42(35)40)45(30-17-8-3-9-18-30)37-21-12-20-32-34-27-31(23-26-39(34)46-41(32)37)44(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-27H
InChIKeyGCBXSBWDLGNECV-UHFFFAOYSA-N
XLogP14.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.28
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
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-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
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
CID 174025075
CID 174025075
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351
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
9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
CID 137465757

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine?
The IUPAC name of 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine (CID 146551054) is 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine.
What is the SMILES notation for 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine?
The canonical SMILES for 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine is Clc1ccc(N(c2ccccc2)c2cccc3c2sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2c1sc1ccccc12.
What is the InChIKey of 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine?
The InChIKey is GCBXSBWDLGNECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27ClN2S2/c43-35-24-25-36(40-33-19-10-11-22-38(33)47-42(35)40)45(30-17-8-3-9-18-30)37-21-12-20-32-34-27-31(23-26-39(34)46-41(32)37)44(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-27H.
What are the key properties of 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine?
6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine has a molecular weight of 659.28 g/mol, XLogP of 14.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine is sourced from PubChem (CID 146551054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).