9-chloro-N,N-diphenyldibenzothiophen-4-amine

C24H16ClNS — CID 139422397

IUPAC9-chloro-N,N-diphenyldibenzothiophen-4-amine
SMILESClc1cccc2sc3c(N(c4ccccc4)c4ccccc4)cccc3c12
InChIInChI=1S/C24H16ClNS/c25-20-14-8-16-22-23(20)19-13-7-15-21(24(19)27-22)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyPAPXOHHASDFPPJ-UHFFFAOYSA-N
MW385.92 g/mol
LogP8.18
Rot. Bonds3

About 9-chloro-N,N-diphenyldibenzothiophen-4-amine

9-chloro-N,N-diphenyldibenzothiophen-4-amine (PubChem CID 139422397) has the molecular formula C24H16ClNS and a molecular weight of 385.92 g/mol. Its IUPAC name is 9-chloro-N,N-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound Name9-chloro-N,N-diphenyldibenzothiophen-4-amine
PubChem CID139422397
Molecular FormulaC24H16ClNS
Molecular Weight385.92 g/mol
Exact Mass385.07
IUPAC Name9-chloro-N,N-diphenyldibenzothiophen-4-amine
SMILESClc1cccc2sc3c(N(c4ccccc4)c4ccccc4)cccc3c12
InChIInChI=1S/C24H16ClNS/c25-20-14-8-16-22-23(20)19-13-7-15-21(24(19)27-22)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H
InChIKeyPAPXOHHASDFPPJ-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351
6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
CID 146551054
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
CID 168810720
3-N-(1-chlorodibenzothiophen-4-yl)-1-N,1-N,3-N-triphenyldibenzothiophene-1,3-diamine
CID 146551476
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170040173
9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 139422504
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N,N-diphenyldibenzothiophen-4-amine?
The IUPAC name of 9-chloro-N,N-diphenyldibenzothiophen-4-amine (CID 139422397) is 9-chloro-N,N-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for 9-chloro-N,N-diphenyldibenzothiophen-4-amine?
The canonical SMILES for 9-chloro-N,N-diphenyldibenzothiophen-4-amine is Clc1cccc2sc3c(N(c4ccccc4)c4ccccc4)cccc3c12.
What is the InChIKey of 9-chloro-N,N-diphenyldibenzothiophen-4-amine?
The InChIKey is PAPXOHHASDFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNS/c25-20-14-8-16-22-23(20)19-13-7-15-21(24(19)27-22)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 9-chloro-N,N-diphenyldibenzothiophen-4-amine?
9-chloro-N,N-diphenyldibenzothiophen-4-amine has a molecular weight of 385.92 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N,N-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 139422397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).