2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride

C97H169N9 — CID 158321416

IUPAC2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)CCC(C)C.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.[H][3H]
InChIInChI=1S/C14H19N.3C13H18N2.2C11H17N.C8H18.7C2H6.H2/c1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;2*1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)5-6-8(3)4;7*1-2;/h5-7,9-10H,8H2,1-4H3;3*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-8H,5-6H2,1-4H3;7*1-2H3;1H/i;;;;;;;;;;;;;;1+2
InChIKeyGOWYSWJWJOYDQG-LAKYPAIVSA-N
MW1463.49 g/mol
LogP32.46
Rot. Bonds15

About 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride

2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride (PubChem CID 158321416) has the molecular formula C97H169N9 and a molecular weight of 1463.49 g/mol. Its IUPAC name is 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride.

Molecular Properties

Compound Name2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride
PubChem CID158321416
Molecular FormulaC97H169N9
Molecular Weight1463.49 g/mol
Exact Mass1462.36
IUPAC Name2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)CCC(C)C.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.[H][3H]
InChIInChI=1S/C14H19N.3C13H18N2.2C11H17N.C8H18.7C2H6.H2/c1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;2*1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)5-6-8(3)4;7*1-2;/h5-7,9-10H,8H2,1-4H3;3*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-8H,5-6H2,1-4H3;7*1-2H3;1H/i;;;;;;;;;;;;;;1+2
InChIKeyGOWYSWJWJOYDQG-LAKYPAIVSA-N
XLogP32.46
TPSA124.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.49
LogP ≤ 532.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride with MolForge

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Related Compounds

4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
7-(5-propan-2-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 153521562
1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
CID 155517112
1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole
CID 155535046
1-(1H-indazol-6-yl)-6-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]benzotriazole
CID 155568365
5-(3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-Indazole
CID 137088071

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride?
The IUPAC name of 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride (CID 158321416) is 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride.
What is the SMILES notation for 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride?
The canonical SMILES for 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride is CC.CC.CC.CC.CC.CC.CC.CC(C)CCC(C)C.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1ccc2[nH]ncc2c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.[H][3H].
What is the InChIKey of 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride?
The InChIKey is GOWYSWJWJOYDQG-LAKYPAIVSA-N. The full InChI is InChI=1S/C14H19N.3C13H18N2.2C11H17N.C8H18.7C2H6.H2/c1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;2*1-8(2)10-5-6-12-11(7-14-15-12)13(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)5-6-8(3)4;7*1-2;/h5-7,9-10H,8H2,1-4H3;3*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-8H,5-6H2,1-4H3;7*1-2H3;1H/i;;;;;;;;;;;;;;1+2.
What are the key properties of 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride?
2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride has a molecular weight of 1463.49 g/mol, XLogP of 32.46, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane;bis(4,5-di(propan-2-yl)-1H-indazole);5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-isoindole;bis(2,3-di(propan-2-yl)pyridine);ethane;tritium monohydride is sourced from PubChem (CID 158321416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).