N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine

C20H19NS — CID 167249229

IUPACN-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)C3C=CC=CC3)cccc12
InChIInChI=1S/C20H19NS/c1-14-8-6-11-16-17-12-7-13-18(20(17)22-19(14)16)21(2)15-9-4-3-5-10-15/h3-9,11-13,15H,10H2,1-2H3
InChIKeyDTBVOMWKEGSJOO-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.68
Rot. Bonds2

About N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine

N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine (PubChem CID 167249229) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine
PubChem CID167249229
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)C3C=CC=CC3)cccc12
InChIInChI=1S/C20H19NS/c1-14-8-6-11-16-17-12-7-13-18(20(17)22-19(14)16)21(2)15-9-4-3-5-10-15/h3-9,11-13,15H,10H2,1-2H3
InChIKeyDTBVOMWKEGSJOO-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyldibenzothiophene
CID 161055331
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine
CID 135244026
N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine
CID 137415879
N-cyclohexa-2,4-dien-1-yl-N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]aniline
CID 163485486
4,5-dimethylthioxanthen-9-one
CID 10800095
N-cyclohexa-2,4-dien-1-yl-N-(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine
CID 144658897
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
2-(3,6-dimethyldibenzothiophen-4-yl)-1,2-dihydropyridine;ethene
CID 144815791
6-N-dibenzothiophen-4-yl-1-N-(6-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 135192257
2-fluoro-4,6-dimethyldibenzothiophene
CID 62707144

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine (CID 167249229) is N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(C)C3C=CC=CC3)cccc12.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine?
The InChIKey is DTBVOMWKEGSJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-14-8-6-11-16-17-12-7-13-18(20(17)22-19(14)16)21(2)15-9-4-3-5-10-15/h3-9,11-13,15H,10H2,1-2H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine?
N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine has a molecular weight of 305.45 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine is sourced from PubChem (CID 167249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).