3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine

C32H24F3N3S — CID 23593353

IUPAC3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)n1
InChIInChI=1S/C32H24F3N3S/c1-21-7-6-10-31(36-21)38(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)39-30(28)20-26)37(2)23-13-11-22(12-14-23)32(33,34)35/h3-20H,1-2H3
InChIKeyOAYFHQIEZMICDM-UHFFFAOYSA-N
MW539.63 g/mol
LogP10.01
Rot. Bonds5

About 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine

3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine (PubChem CID 23593353) has the molecular formula C32H24F3N3S and a molecular weight of 539.63 g/mol. Its IUPAC name is 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
PubChem CID23593353
Molecular FormulaC32H24F3N3S
Molecular Weight539.63 g/mol
Exact Mass539.16
IUPAC Name3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)n1
InChIInChI=1S/C32H24F3N3S/c1-21-7-6-10-31(36-21)38(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)39-30(28)20-26)37(2)23-13-11-22(12-14-23)32(33,34)35/h3-20H,1-2H3
InChIKeyOAYFHQIEZMICDM-UHFFFAOYSA-N
XLogP10.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593204
2-[4-[4-(1-Benzothiophen-3-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
CID 69559514
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054
N-[4-[5-(6-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195089
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276725
3-[9-[6-(6-Fluorodibenzothiophen-4-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276751
5-[4-(4,6-Difluoropyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 122524690
5-[2-[2-([1]Benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 138554644
12-[6-([1]Benzothiolo[3,2-a]carbazol-12-yl)-4-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 146393850
4-(3-Dibenzothiophen-4-ylphenyl)-2-(4-fluorophenyl)-6-(3-phenylphenyl)pyrimidine
CID 146557739
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155232321

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine (CID 23593353) is 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine.
What is the SMILES notation for 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)n1.
What is the InChIKey of 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine?
The InChIKey is OAYFHQIEZMICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N3S/c1-21-7-6-10-31(36-21)38(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)39-30(28)20-26)37(2)23-13-11-22(12-14-23)32(33,34)35/h3-20H,1-2H3.
What are the key properties of 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine?
3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine has a molecular weight of 539.63 g/mol, XLogP of 10.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine is sourced from PubChem (CID 23593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).