1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C26H40N- — CID 157093182

IUPAC1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESC.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)c2c(c1C)c(C)c(C)n2C
InChIInChI=1S/C15H21N.C10H15.CH4/c1-8-9(2)11(4)15-14(10(8)3)12(5)13(6)16(15)7;1-6-7(2)9(4)10(5)8(6)3;/h1-7H3;1-5H3;1H4/q;-1;
InChIKeyAEXDHKQHZRHFHS-UHFFFAOYSA-N
MW366.61 g/mol
LogP7.61
Rot. Bonds

About 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 157093182) has the molecular formula C26H40N- and a molecular weight of 366.61 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID157093182
Molecular FormulaC26H40N-
Molecular Weight366.61 g/mol
Exact Mass366.32
IUPAC Name1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESC.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)c2c(c1C)c(C)c(C)n2C
InChIInChI=1S/C15H21N.C10H15.CH4/c1-8-9(2)11(4)15-14(10(8)3)12(5)13(6)16(15)7;1-6-7(2)9(4)10(5)8(6)3;/h1-7H3;1-5H3;1H4/q;-1;
InChIKeyAEXDHKQHZRHFHS-UHFFFAOYSA-N
XLogP7.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.61
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141169485
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 157093182) is 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)c2c(c1C)c(C)c(C)n2C.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is AEXDHKQHZRHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C10H15.CH4/c1-8-9(2)11(4)15-14(10(8)3)12(5)13(6)16(15)7;1-6-7(2)9(4)10(5)8(6)3;/h1-7H3;1-5H3;1H4/q;-1;.
What are the key properties of 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 366.61 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 157093182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).