6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole

C24H23F3N2O — CID 15240957

IUPAC6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole
SMILESCOc1ccc(CN2c3cc4ccncc4c(C(F)(F)F)c3C3CCCCC32)cc1
InChIInChI=1S/C24H23F3N2O/c1-30-17-8-6-15(7-9-17)14-29-20-5-3-2-4-18(20)22-21(29)12-16-10-11-28-13-19(16)23(22)24(25,26)27/h6-13,18,20H,2-5,14H2,1H3
InChIKeyUBBBGLUBIAAYST-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.31
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole

6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole (PubChem CID 15240957) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole
PubChem CID15240957
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole
SMILESCOc1ccc(CN2c3cc4ccncc4c(C(F)(F)F)c3C3CCCCC32)cc1
InChIInChI=1S/C24H23F3N2O/c1-30-17-8-6-15(7-9-17)14-29-20-5-3-2-4-18(20)22-21(29)12-16-10-11-28-13-19(16)23(22)24(25,26)27/h6-13,18,20H,2-5,14H2,1H3
InChIKeyUBBBGLUBIAAYST-UHFFFAOYSA-N
XLogP6.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole with MolForge

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Related Compounds

3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 9864943
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-6-yl-ethyl)-amine
CID 10713569
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-7-yl-ethyl)-amine
CID 10737264
2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 54753271
1-(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)-N,N-dimethylmethanamine
CID 77105821
9-Methoxy-2,6-dimethylellipticinium iodide
CID 24193683
8-(3-Fluoro-4-methoxyphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
CID 51360690
2-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 72722778
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720773
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 118720779

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole (CID 15240957) is 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole is COc1ccc(CN2c3cc4ccncc4c(C(F)(F)F)c3C3CCCCC32)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole?
The InChIKey is UBBBGLUBIAAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-30-17-8-6-15(7-9-17)14-29-20-5-3-2-4-18(20)22-21(29)12-16-10-11-28-13-19(16)23(22)24(25,26)27/h6-13,18,20H,2-5,14H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole?
6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole has a molecular weight of 412.46 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-11-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydropyrido[4,3-b]carbazole is sourced from PubChem (CID 15240957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).