6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine

C25H25NS — CID 145261593

IUPAC6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=CCC1c1ccc2c3c(ccc2c1)-c1ccccc1S3(C)C
InChIInChI=1S/C25H25NS/c1-26-23-10-6-4-8-19(23)17-12-14-20-18(16-17)13-15-22-21-9-5-7-11-24(21)27(2,3)25(20)22/h4-7,9-16,19,26H,8H2,1-3H3
InChIKeyUHIGGHPVANMCLC-UHFFFAOYSA-N
MW371.55 g/mol
LogP6.45
Rot. Bonds2

About 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine

6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 145261593) has the molecular formula C25H25NS and a molecular weight of 371.55 g/mol. Its IUPAC name is 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID145261593
Molecular FormulaC25H25NS
Molecular Weight371.55 g/mol
Exact Mass371.17
IUPAC Name6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=CCC1c1ccc2c3c(ccc2c1)-c1ccccc1S3(C)C
InChIInChI=1S/C25H25NS/c1-26-23-10-6-4-8-19(23)17-12-14-20-18(16-17)13-15-22-21-9-5-7-11-24(21)27(2,3)25(20)22/h4-7,9-16,19,26H,8H2,1-3H3
InChIKeyUHIGGHPVANMCLC-UHFFFAOYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 146924911
7-(7,7-dimethyl-11,11a-dihydrobenzo[a]phenalen-4-yl)-4-phenylbenzo[a]anthracene
CID 171044967
7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
CID 144907676
2-(methylamino)-3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-ol
CID 167452983
9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
CID 146364509
2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
CID 143207701
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
10-methyl-1,9a-dihydroacridin-9-imine
CID 91416173
10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
CID 159798458
9a,10-dihydro-1H-acridin-9-one
CID 18616822
ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813

Frequently Asked Questions

What is the IUPAC name of 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine (CID 145261593) is 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine is CNC1=CC=CCC1c1ccc2c3c(ccc2c1)-c1ccccc1S3(C)C.
What is the InChIKey of 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is UHIGGHPVANMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NS/c1-26-23-10-6-4-8-19(23)17-12-14-20-18(16-17)13-15-22-21-9-5-7-11-24(21)27(2,3)25(20)22/h4-7,9-16,19,26H,8H2,1-3H3.
What are the key properties of 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine?
6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 371.55 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 145261593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).