tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)

C50H74N6 — CID 158752956

IUPACtetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)
SMILESC1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ncc2c1.c1ccn2cncc2c1
InChIInChI=1S/2C8H7N.2C7H6N2.4C5H12/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;4*1-5(2,3)4/h2*1-4,6H,5H2;1-6H;1-5H,(H,8,9);4*1-4H3
InChIKeyINSAGKNPQHLLHR-UHFFFAOYSA-N
MW759.18 g/mol
LogP15.00
Rot. Bonds

About tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)

tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole) (PubChem CID 158752956) has the molecular formula C50H74N6 and a molecular weight of 759.18 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole).

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)
PubChem CID158752956
Molecular FormulaC50H74N6
Molecular Weight759.18 g/mol
Exact Mass758.60
IUPAC Nametetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)
SMILESC1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ncc2c1.c1ccn2cncc2c1
InChIInChI=1S/2C8H7N.2C7H6N2.4C5H12/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;4*1-5(2,3)4/h2*1-4,6H,5H2;1-6H;1-5H,(H,8,9);4*1-4H3
InChIKeyINSAGKNPQHLLHR-UHFFFAOYSA-N
XLogP15.00
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.18
LogP ≤ 515.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-benzimidazole;2,1,3-benzothiadiazole;tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole
CID 162059832
imidazo[1,5-a]pyridine;propane
CID 144974389
1H-indazole;ruthenium(3+)
CID 158942897
CID 142869104
CID 142869104
1H-indazole;hydrate;hydrochloride
CID 140981891
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
1H-indazole;methylsulfinylmethane;osmium;tetrachloride
CID 25015525
1H-indazole;(2R)-2-methylpyrrolidine
CID 159382960
1H-indazole;thiocarbonyl dichloride
CID 131733696
sodium;bis(1H-indazole);tetrachlororuthenium(1-)
CID 25134754
5H-cyclopenta[b]pyridine;bis(7H-cyclopenta[b]pyridine);bis(7H-cyclopenta[c]pyridine);hexadecakis(2,2-dimethylpropane);imidazo[1,2-a]pyridine;naphthalene;1H-pyrazolo[5,4-c]pyridine;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline
CID 158640547
2,1,3-benzoxadiazole;1H-indazole
CID 157326942

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)?
The IUPAC name of tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole) (CID 158752956) is tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole).
What is the SMILES notation for tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)?
The canonical SMILES for tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole) is C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]ncc2c1.c1ccn2cncc2c1.
What is the InChIKey of tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)?
The InChIKey is INSAGKNPQHLLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.2C7H6N2.4C5H12/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;4*1-5(2,3)4/h2*1-4,6H,5H2;1-6H;1-5H,(H,8,9);4*1-4H3.
What are the key properties of tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)?
tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole) has a molecular weight of 759.18 g/mol, XLogP of 15.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole) is sourced from PubChem (CID 158752956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).