4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline

C61H63F3N2 — CID 126579770

IUPAC4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1ccc(-c2ccc3c4c5c(ccc24)C=CC(c2ccc4c(c2)CC2(C)CCCCC2(C)N4c2ccc(C(F)(F)F)cc2)C5=CC3)cc1CC1(C)CCCCC1
InChIInChI=1S/C61H63F3N2/c1-6-65(48-22-12-40(2)13-23-48)54-30-18-43(36-45(54)38-58(3)32-8-7-9-33-58)50-26-14-41-17-29-53-51(27-15-42-16-28-52(50)56(41)57(42)53)44-19-31-55-46(37-44)39-59(4)34-10-11-35-60(59,5)66(55)49-24-20-47(21-25-49)61(62,63)64/h12-16,18-31,36-37,51H,6-11,17,32-35,38-39H2,1-5H3
InChIKeyLWKKMCNVHHDFNK-UHFFFAOYSA-N
MW881.18 g/mol
LogP17.29
Rot. Bonds8

About 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline

4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline (PubChem CID 126579770) has the molecular formula C61H63F3N2 and a molecular weight of 881.18 g/mol. Its IUPAC name is 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline
PubChem CID126579770
Molecular FormulaC61H63F3N2
Molecular Weight881.18 g/mol
Exact Mass880.49
IUPAC Name4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1ccc(-c2ccc3c4c5c(ccc24)C=CC(c2ccc4c(c2)CC2(C)CCCCC2(C)N4c2ccc(C(F)(F)F)cc2)C5=CC3)cc1CC1(C)CCCCC1
InChIInChI=1S/C61H63F3N2/c1-6-65(48-22-12-40(2)13-23-48)54-30-18-43(36-45(54)38-58(3)32-8-7-9-33-58)50-26-14-41-17-29-53-51(27-15-42-16-28-52(50)56(41)57(42)53)44-19-31-55-46(37-44)39-59(4)34-10-11-35-60(59,5)66(55)49-24-20-47(21-25-49)61(62,63)64/h12-16,18-31,36-37,51H,6-11,17,32-35,38-39H2,1-5H3
InChIKeyLWKKMCNVHHDFNK-UHFFFAOYSA-N
XLogP17.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.18
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline (CID 126579770) is 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline is CCN(c1ccc(C)cc1)c1ccc(-c2ccc3c4c5c(ccc24)C=CC(c2ccc4c(c2)CC2(C)CCCCC2(C)N4c2ccc(C(F)(F)F)cc2)C5=CC3)cc1CC1(C)CCCCC1.
What is the InChIKey of 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline?
The InChIKey is LWKKMCNVHHDFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H63F3N2/c1-6-65(48-22-12-40(2)13-23-48)54-30-18-43(36-45(54)38-58(3)32-8-7-9-33-58)50-26-14-41-17-29-53-51(27-15-42-16-28-52(50)56(41)57(42)53)44-19-31-55-46(37-44)39-59(4)34-10-11-35-60(59,5)66(55)49-24-20-47(21-25-49)61(62,63)64/h12-16,18-31,36-37,51H,6-11,17,32-35,38-39H2,1-5H3.
What are the key properties of 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline?
4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline has a molecular weight of 881.18 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[8a,10a-dimethyl-10-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-acridin-2-yl]-4,6-dihydropyren-1-yl]-N-ethyl-2-[(1-methylcyclohexyl)methyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 126579770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).