N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine

C28H27NOS — CID 164708740

IUPACN-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(Nc4cccc5oc6ccccc6c45)csc3cc21
InChIInChI=1S/C28H27NOS/c1-27(2)12-13-28(3,4)20-15-25-18(14-19(20)27)22(16-31-25)29-21-9-7-11-24-26(21)17-8-5-6-10-23(17)30-24/h5-11,14-16,29H,12-13H2,1-4H3
InChIKeyCTWOTGHOWZFWNI-UHFFFAOYSA-N
MW425.60 g/mol
LogP8.89
Rot. Bonds2

About N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine

N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine (PubChem CID 164708740) has the molecular formula C28H27NOS and a molecular weight of 425.60 g/mol. Its IUPAC name is N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine
PubChem CID164708740
Molecular FormulaC28H27NOS
Molecular Weight425.60 g/mol
Exact Mass425.18
IUPAC NameN-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(Nc4cccc5oc6ccccc6c45)csc3cc21
InChIInChI=1S/C28H27NOS/c1-27(2)12-13-28(3,4)20-15-25-18(14-19(20)27)22(16-31-25)29-21-9-7-11-24-26(21)17-8-5-6-10-23(17)30-24/h5-11,14-16,29H,12-13H2,1-4H3
InChIKeyCTWOTGHOWZFWNI-UHFFFAOYSA-N
XLogP8.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine with MolForge

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Related Compounds

5,5,8,8-tetramethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydrobenzo[f][1]benzothiol-3-amine
CID 155595926
1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
CID 171579490
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-methyldibenzofuran-1-amine
CID 135277683
N-triphenylen-2-yldibenzofuran-1-amine
CID 162427617
N-dibenzofuran-1-yldibenzofuran-2-amine
CID 164743454
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
CID 169030116
(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)boronic acid
CID 163300037
N-[(2S)-3,3-dimethylpent-4-en-2-yl]-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-amine
CID 174100243
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855

Frequently Asked Questions

What is the IUPAC name of N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine?
The IUPAC name of N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine (CID 164708740) is N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine is CC1(C)CCC(C)(C)c2cc3c(Nc4cccc5oc6ccccc6c45)csc3cc21.
What is the InChIKey of N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine?
The InChIKey is CTWOTGHOWZFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NOS/c1-27(2)12-13-28(3,4)20-15-25-18(14-19(20)27)22(16-31-25)29-21-9-7-11-24-26(21)17-8-5-6-10-23(17)30-24/h5-11,14-16,29H,12-13H2,1-4H3.
What are the key properties of N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine?
N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine has a molecular weight of 425.60 g/mol, XLogP of 8.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 164708740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).