methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline

C72H67BN8O2 — CID 158423439

IUPACmethane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
SMILESC.C(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(-c3ccnc4ccccc34)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[H][H]
InChIInChI=1S/C25H19N3.C24H17N3.C22H25BN2O2.CH4.H2/c1-28-25-14-12-19(20-15-16-26-23-10-6-5-9-21(20)23)17-22(25)24(27-28)13-11-18-7-3-2-4-8-18;1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22;1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;;/h2-17H,1H3;1-16H,(H,26,27);6-15H,1-5H3;1H4;1H/b13-11+;12-10+;13-11+;;
InChIKeyHATLRRHSRJEVCR-BWNPJRFMSA-N
MW1087.19 g/mol
LogP16.83
Rot. Bonds9

About methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline

methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline (PubChem CID 158423439) has the molecular formula C72H67BN8O2 and a molecular weight of 1087.19 g/mol. Its IUPAC name is methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline.

Molecular Properties

Compound Namemethane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
PubChem CID158423439
Molecular FormulaC72H67BN8O2
Molecular Weight1087.19 g/mol
Exact Mass1086.55
IUPAC Namemethane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
SMILESC.C(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(-c3ccnc4ccccc34)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[H][H]
InChIInChI=1S/C25H19N3.C24H17N3.C22H25BN2O2.CH4.H2/c1-28-25-14-12-19(20-15-16-26-23-10-6-5-9-21(20)23)17-22(25)24(27-28)13-11-18-7-3-2-4-8-18;1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22;1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;;/h2-17H,1H3;1-16H,(H,26,27);6-15H,1-5H3;1H4;1H/b13-11+;12-10+;13-11+;;
InChIKeyHATLRRHSRJEVCR-BWNPJRFMSA-N
XLogP16.83
TPSA108.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.19
LogP ≤ 516.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline with MolForge

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Related Compounds

6-(1h-Indazol-5-yl)-4-(4-pyridinyl)quinoline
CID 59859929
3-[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine
CID 145252297
3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole
CID 145252359
5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
CID 155371057
5-[2-(3,5-difluorophenyl)-5-[4-[3-(1H-indazol-5-yl)-2-pyridinyl]-2-methylphenyl]-3-pyridinyl]-1H-indazole
CID 155371060
8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
CID 159838770
7-(1H-isoindol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-[4-[7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]propan-2-one
CID 160000031
1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine
CID 44527057
5-[1-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 56970504
1-methyl-3-[[(3R)-3-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidin-1-yl]methyl]indazole
CID 56970721
1-(3-methylphenyl)-8-(5-pyrrolidin-1-yl-3-pyridinyl)-3H-pyrazolo[3,4-c]quinoline
CID 67391222
1-methyl-3-[[3-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidin-1-yl]methyl]indazole
CID 89790517

Frequently Asked Questions

What is the IUPAC name of methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The IUPAC name of methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline (CID 158423439) is methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline.
What is the SMILES notation for methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The canonical SMILES for methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline is C.C(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(-c3ccnc4ccccc34)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.[H][H].
What is the InChIKey of methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The InChIKey is HATLRRHSRJEVCR-BWNPJRFMSA-N. The full InChI is InChI=1S/C25H19N3.C24H17N3.C22H25BN2O2.CH4.H2/c1-28-25-14-12-19(20-15-16-26-23-10-6-5-9-21(20)23)17-22(25)24(27-28)13-11-18-7-3-2-4-8-18;1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22;1-21(2)22(3,4)27-23(26-21)17-12-14-20-18(15-17)19(24-25(20)5)13-11-16-9-7-6-8-10-16;;/h2-17H,1H3;1-16H,(H,26,27);6-15H,1-5H3;1H4;1H/b13-11+;12-10+;13-11+;;.
What are the key properties of methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline has a molecular weight of 1087.19 g/mol, XLogP of 16.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline is sourced from PubChem (CID 158423439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).