1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene

C107H130IN7O — CID 158253736

IUPAC1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene
SMILESC.CC.CC.COc1ccccc1C(C)(C)n1ccc2ccccc21.Cc1cc(C)cc(C(C)(C)n2c(C)cc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2ccc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2cccn2)c1.Cc1cc(C)cc(C(C)(C)n2ncc3ccccc32)c1.Cc1ccccc1.Ic1ccccc1
InChIInChI=1S/C20H23N.C19H21N.C18H20N2.C18H19NO.C14H18N2.C7H8.C6H5I.2C2H6.CH4/c1-14-10-15(2)12-18(11-14)20(4,5)21-16(3)13-17-8-6-7-9-19(17)21;1-14-11-15(2)13-17(12-14)19(3,4)20-10-9-16-7-5-6-8-18(16)20;1-13-9-14(2)11-16(10-13)18(3,4)20-17-8-6-5-7-15(17)12-19-20;1-18(2,15-9-5-7-11-17(15)20-3)19-13-12-14-8-4-6-10-16(14)19;1-11-8-12(2)10-13(9-11)14(3,4)16-7-5-6-15-16;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2;/h6-13H,1-5H3;5-13H,1-4H3;5-12H,1-4H3;4-13H,1-3H3;5-10H,1-4H3;2-6H,1H3;1-5H;2*1-2H3;1H4
InChIKeyGHAIMGXKVUHQSU-UHFFFAOYSA-N
MW1657.17 g/mol
LogP29.52
Rot. Bonds11

About 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene

1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene (PubChem CID 158253736) has the molecular formula C107H130IN7O and a molecular weight of 1657.17 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene
PubChem CID158253736
Molecular FormulaC107H130IN7O
Molecular Weight1657.17 g/mol
Exact Mass1655.94
IUPAC Name1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene
SMILESC.CC.CC.COc1ccccc1C(C)(C)n1ccc2ccccc21.Cc1cc(C)cc(C(C)(C)n2c(C)cc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2ccc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2cccn2)c1.Cc1cc(C)cc(C(C)(C)n2ncc3ccccc32)c1.Cc1ccccc1.Ic1ccccc1
InChIInChI=1S/C20H23N.C19H21N.C18H20N2.C18H19NO.C14H18N2.C7H8.C6H5I.2C2H6.CH4/c1-14-10-15(2)12-18(11-14)20(4,5)21-16(3)13-17-8-6-7-9-19(17)21;1-14-11-15(2)13-17(12-14)19(3,4)20-10-9-16-7-5-6-8-18(16)20;1-13-9-14(2)11-16(10-13)18(3,4)20-17-8-6-5-7-15(17)12-19-20;1-18(2,15-9-5-7-11-17(15)20-3)19-13-12-14-8-4-6-10-16(14)19;1-11-8-12(2)10-13(9-11)14(3,4)16-7-5-6-15-16;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2;/h6-13H,1-5H3;5-13H,1-4H3;5-12H,1-4H3;4-13H,1-3H3;5-10H,1-4H3;2-6H,1H3;1-5H;2*1-2H3;1H4
InChIKeyGHAIMGXKVUHQSU-UHFFFAOYSA-N
XLogP29.52
TPSA59.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001657.17
LogP ≤ 529.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
CID 44583472
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]indol-3-yl]-(4-methoxyphenyl)methyl]indole
CID 44583473
3-[(4-Methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
CID 44583475
2,2-difluoro-5,11-diiodo-8-(4-methoxyphenyl)-6,10-dimethyl-4,12-bis[(E)-2-[9-[[1-(2-piperazin-1-ylethyl)triazol-4-yl]methyl]carbazol-3-yl]ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 174042131
3-[[5-[[3-[Bis(1-methylindol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1-methylindol-3-yl)methyl]-1-methylindole
CID 139225228
3-[[5-[[3-[Bis(1-methylindol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1-methylindol-3-yl)methyl]-1-methylindole
CID 139225229
3-[[5-[[3-[Bis(1-methylindol-3-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(1-methylindol-3-yl)methyl]-1-methylindole
CID 139225230
3-[[5-[[3-[Bis(1-methylindol-3-yl)methyl]-4-prop-2-ynoxyphenyl]methyl]-2-prop-2-ynoxyphenyl]-(1-methylindol-3-yl)methyl]-1-methylindole
CID 139225231
3-[[5-[[3-[Bis(1-prop-2-ynylindol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1-prop-2-ynylindol-3-yl)methyl]-1-prop-2-ynylindole
CID 139225232
9-[3-[3-Carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole
CID 138629069
2-[4-[2-[3-[2-[4-[4-[[6-[4-[2-[3,5-Bis[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-3-pyridinyl]methyl]pyrazol-1-yl]phenyl]ethyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-methoxy-5-[1-[4-[2-[3-[2-[4-methoxy-6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(4-pyrazol-1-ylphenyl)ethyl]phenyl]ethyl]phenyl]pyrazol-4-yl]pyridine
CID 139429232
1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole
CID 141449593

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene (CID 158253736) is 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene is C.CC.CC.COc1ccccc1C(C)(C)n1ccc2ccccc21.Cc1cc(C)cc(C(C)(C)n2c(C)cc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2ccc3ccccc32)c1.Cc1cc(C)cc(C(C)(C)n2cccn2)c1.Cc1cc(C)cc(C(C)(C)n2ncc3ccccc32)c1.Cc1ccccc1.Ic1ccccc1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene?
The InChIKey is GHAIMGXKVUHQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N.C19H21N.C18H20N2.C18H19NO.C14H18N2.C7H8.C6H5I.2C2H6.CH4/c1-14-10-15(2)12-18(11-14)20(4,5)21-16(3)13-17-8-6-7-9-19(17)21;1-14-11-15(2)13-17(12-14)19(3,4)20-10-9-16-7-5-6-8-18(16)20;1-13-9-14(2)11-16(10-13)18(3,4)20-17-8-6-5-7-15(17)12-19-20;1-18(2,15-9-5-7-11-17(15)20-3)19-13-12-14-8-4-6-10-16(14)19;1-11-8-12(2)10-13(9-11)14(3,4)16-7-5-6-15-16;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2;/h6-13H,1-5H3;5-13H,1-4H3;5-12H,1-4H3;4-13H,1-3H3;5-10H,1-4H3;2-6H,1H3;1-5H;2*1-2H3;1H4.
What are the key properties of 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene?
1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene has a molecular weight of 1657.17 g/mol, XLogP of 29.52, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene is sourced from PubChem (CID 158253736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).