3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine

C31H24FN3S — CID 23593204

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(F)cc4)ccc23)n1
InChIInChI=1S/C31H24FN3S/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3
InChIKeyOKZYIKNWRGEHGC-UHFFFAOYSA-N
MW489.62 g/mol
LogP9.13
Rot. Bonds5

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine (PubChem CID 23593204) has the molecular formula C31H24FN3S and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
PubChem CID23593204
Molecular FormulaC31H24FN3S
Molecular Weight489.62 g/mol
Exact Mass489.17
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(F)cc4)ccc23)n1
InChIInChI=1S/C31H24FN3S/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3
InChIKeyOKZYIKNWRGEHGC-UHFFFAOYSA-N
XLogP9.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593353
7-[(dibenzylamino)methyl]-N-(3-fluorophenyl)thieno[3,2-c]quinolin-4-amine
CID 57876999
2-[4-[4-(1-Benzothiophen-3-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
CID 69559514
1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
4-[3,5-Di(dibenzothiophen-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991930
2-[3,5-Di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89992076
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-2-yl]-9-phenylcarbazole
CID 121276719
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-2-yl]-9-phenylcarbazole
CID 121276742

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine (CID 23593204) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(N(C)c4ccc(F)cc4)ccc23)n1.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine?
The InChIKey is OKZYIKNWRGEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN3S/c1-21-7-6-10-31(33-21)35(24-8-4-3-5-9-24)26-16-18-28-27-17-15-25(19-29(27)36-30(28)20-26)34(2)23-13-11-22(32)12-14-23/h3-20H,1-2H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine has a molecular weight of 489.62 g/mol, XLogP of 9.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine is sourced from PubChem (CID 23593204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).