1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine

C70H74F6N8O2 — CID 158765086

IUPAC1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)cn2)nc1.c1ccc2c(-c3nccc4ccccc34)nccc2c1
InChIInChI=1S/C28H44N2.C18H12N2.C12H6F6N2.C12H12N2O2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18;13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h19-24H,3-18H2,1-2H3;1-12H;1-6H;3-8H,1-2H3
InChIKeyIPDREMNDBIGJOS-UHFFFAOYSA-N
MW1173.40 g/mol
LogP19.52
Rot. Bonds22

About 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine

1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 158765086) has the molecular formula C70H74F6N8O2 and a molecular weight of 1173.40 g/mol. Its IUPAC name is 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID158765086
Molecular FormulaC70H74F6N8O2
Molecular Weight1173.40 g/mol
Exact Mass1172.58
IUPAC Name1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)cn2)nc1.c1ccc2c(-c3nccc4ccccc34)nccc2c1
InChIInChI=1S/C28H44N2.C18H12N2.C12H6F6N2.C12H12N2O2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18;13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h19-24H,3-18H2,1-2H3;1-12H;1-6H;3-8H,1-2H3
InChIKeyIPDREMNDBIGJOS-UHFFFAOYSA-N
XLogP19.52
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.40
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539901
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
Bis[3,5-difluoro-2-(5-methoxy-2-pyridyl)phenyl]iridium(1+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridyl]pyridine;hexafluorophosphate
CID 166446739
Acetonitrile;chromium(3+);8-(4-methoxy-6-quinolin-8-yl-2-pyridinyl)quinoline;8-(6-quinolin-8-yl-2-pyridinyl)quinoline;tris(trifluoromethanesulfonate)
CID 168343549
8-Methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline
CID 15264482
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;2-[2,3-diphenyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
CID 57872831
3-[4-(3,5-Ditert-butylphenyl)-6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]isoquinoline
CID 59615533
8-(2,6-Difluorophenyl)-7-oxido-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-7-ium;8-(2-methoxyphenyl)-7-oxido-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-7-ium
CID 87617907
Tris[3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-yl] phosphate
CID 88314346
3-Isoquinolin-3-yl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethoxy)quinoline
CID 90869507
5-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539890
7-[(E)-2-(4-methoxyphenyl)ethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 118539908

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine (CID 158765086) is 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine is CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)cn2)nc1.c1ccc2c(-c3nccc4ccccc34)nccc2c1.
What is the InChIKey of 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is IPDREMNDBIGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2.C18H12N2.C12H6F6N2.C12H12N2O2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18;13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h19-24H,3-18H2,1-2H3;1-12H;1-6H;3-8H,1-2H3.
What are the key properties of 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 1173.40 g/mol, XLogP of 19.52, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-ylisoquinoline;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 158765086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).