5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten

C42H63N4O2W- — CID 169183570

IUPAC5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten
SMILESC=CNNC.CN.[CH2-]C(C)(C)Cc1c(-c2c(CCCC)cccc2OC)n(C)c2ccc(-c3cc(C)cc(CC(C)CCCO)c3)cc12.[W]
InChIInChI=1S/C38H50NO2.C3H8N2.CH5N.W/c1-9-10-14-29-15-11-16-35(41-8)36(29)37-33(25-38(4,5)6)32-24-30(17-18-34(32)39(37)7)31-22-27(3)21-28(23-31)20-26(2)13-12-19-40;1-3-5-4-2;1-2;/h11,15-18,21-24,26,40H,4,9-10,12-14,19-20,25H2,1-3,5-8H3;3-5H,1H2,2H3;2H2,1H3;/q-1;;;
InChIKeyXOHXWMNYMXDMGJ-UHFFFAOYSA-N
MW839.83 g/mol
LogP8.95
Rot. Bonds15

About 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten

5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten (PubChem CID 169183570) has the molecular formula C42H63N4O2W- and a molecular weight of 839.83 g/mol. Its IUPAC name is 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten.

Molecular Properties

Compound Name5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten
PubChem CID169183570
Molecular FormulaC42H63N4O2W-
Molecular Weight839.83 g/mol
Exact Mass839.45
IUPAC Name5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten
SMILESC=CNNC.CN.[CH2-]C(C)(C)Cc1c(-c2c(CCCC)cccc2OC)n(C)c2ccc(-c3cc(C)cc(CC(C)CCCO)c3)cc12.[W]
InChIInChI=1S/C38H50NO2.C3H8N2.CH5N.W/c1-9-10-14-29-15-11-16-35(41-8)36(29)37-33(25-38(4,5)6)32-24-30(17-18-34(32)39(37)7)31-22-27(3)21-28(23-31)20-26(2)13-12-19-40;1-3-5-4-2;1-2;/h11,15-18,21-24,26,40H,4,9-10,12-14,19-20,25H2,1-3,5-8H3;3-5H,1H2,2H3;2H2,1H3;/q-1;;;
InChIKeyXOHXWMNYMXDMGJ-UHFFFAOYSA-N
XLogP8.95
TPSA84.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.83
LogP ≤ 58.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dimethylpentyl)-1-ethyl-2-(6-ethyl-1,2-dihydropyridin-5-yl)-5-[3-methyl-5-(2-methylbut-3-enyl)phenyl]indole
CID 165399606
(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane
CID 167104013
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
7-[3-[1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)-2-[2-(2-methoxyethyl)phenyl]indol-5-yl]-5-hydroxyphenyl]-2-methylheptanal
CID 156736573
2-butyl-1,3-dimethoxybenzene
CID 524840
dimethyl 4-(2-methoxy-6-pentadecylphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10289575
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
2-butyl-5-methoxy-9-methylcarbazole
CID 86239479
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
(2,6-dimethoxyphenyl) (2R)-2-bromohexanoate
CID 129365299
1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237517

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten?
The IUPAC name of 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten (CID 169183570) is 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten.
What is the SMILES notation for 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten?
The canonical SMILES for 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten is C=CNNC.CN.[CH2-]C(C)(C)Cc1c(-c2c(CCCC)cccc2OC)n(C)c2ccc(-c3cc(C)cc(CC(C)CCCO)c3)cc12.[W].
What is the InChIKey of 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten?
The InChIKey is XOHXWMNYMXDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50NO2.C3H8N2.CH5N.W/c1-9-10-14-29-15-11-16-35(41-8)36(29)37-33(25-38(4,5)6)32-24-30(17-18-34(32)39(37)7)31-22-27(3)21-28(23-31)20-26(2)13-12-19-40;1-3-5-4-2;1-2;/h11,15-18,21-24,26,40H,4,9-10,12-14,19-20,25H2,1-3,5-8H3;3-5H,1H2,2H3;2H2,1H3;/q-1;;;.
What are the key properties of 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten?
5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten has a molecular weight of 839.83 g/mol, XLogP of 8.95, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-butyl-6-methoxyphenyl)-3-(2-methanidyl-2-methylpropyl)-1-methylindol-5-yl]-5-methylphenyl]-4-methylpentan-1-ol;1-ethenyl-2-methylhydrazine;methanamine;tungsten is sourced from PubChem (CID 169183570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).