N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine

C24H16ClNS — CID 134198312

IUPACN-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
SMILESClc1cccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C24H16ClNS/c25-17-8-6-11-19(16-17)26(18-9-2-1-3-10-18)22-14-7-13-21-20-12-4-5-15-23(20)27-24(21)22/h1-16H
InChIKeyAUGOHVQZDSZOHW-UHFFFAOYSA-N
MW385.92 g/mol
LogP8.18
Rot. Bonds3

About N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine

N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine (PubChem CID 134198312) has the molecular formula C24H16ClNS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
PubChem CID134198312
Molecular FormulaC24H16ClNS
Molecular Weight385.92 g/mol
Exact Mass385.07
IUPAC NameN-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
SMILESClc1cccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C24H16ClNS/c25-17-8-6-11-19(16-17)26(18-9-2-1-3-10-18)22-14-7-13-21-20-12-4-5-15-23(20)27-24(21)22/h1-16H
InChIKeyAUGOHVQZDSZOHW-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

9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
CID 137465757
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170040173
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
CID 146551054
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine (CID 134198312) is N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine is Clc1cccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is AUGOHVQZDSZOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNS/c25-17-8-6-11-19(16-17)26(18-9-2-1-3-10-18)22-14-7-13-21-20-12-4-5-15-23(20)27-24(21)22/h1-16H.
What are the key properties of N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine?
N-(3-chlorophenyl)-N-phenyldibenzothiophen-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 N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 134198312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).