3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole

C70H55N11 — CID 157460484

IUPAC3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole
SMILESC1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccc3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/C24H19N3.2C23H18N4/c1-3-9-18(10-4-1)23-20-14-15-24(17-21(20)26-27-23,19-11-5-2-6-12-19)22-13-7-8-16-25-22;1-2-8-17(9-3-1)23(21-11-5-7-15-25-21)13-12-18-20(16-23)26-27-22(18)19-10-4-6-14-24-19;1-2-8-18(9-3-1)23(21-10-4-5-14-25-21)12-11-19-20(15-23)26-27-22(19)17-7-6-13-24-16-17/h1-16H,17H2,(H,26,27);1-15H,16H2,(H,26,27);1-14,16H,15H2,(H,26,27)
InChIKeyBTWCGLUWWZUOHJ-UHFFFAOYSA-N
MW1050.29 g/mol
LogP13.87
Rot. Bonds9

About 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole

3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole (PubChem CID 157460484) has the molecular formula C70H55N11 and a molecular weight of 1050.29 g/mol. Its IUPAC name is 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole.

Molecular Properties

Compound Name3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole
PubChem CID157460484
Molecular FormulaC70H55N11
Molecular Weight1050.29 g/mol
Exact Mass1049.46
IUPAC Name3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole
SMILESC1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccc3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/C24H19N3.2C23H18N4/c1-3-9-18(10-4-1)23-20-14-15-24(17-21(20)26-27-23,19-11-5-2-6-12-19)22-13-7-8-16-25-22;1-2-8-17(9-3-1)23(21-11-5-7-15-25-21)13-12-18-20(16-23)26-27-22(18)19-10-4-6-14-24-19;1-2-8-18(9-3-1)23(21-10-4-5-14-25-21)12-11-19-20(15-23)26-27-22(19)17-7-6-13-24-16-17/h1-16H,17H2,(H,26,27);1-15H,16H2,(H,26,27);1-14,16H,15H2,(H,26,27)
InChIKeyBTWCGLUWWZUOHJ-UHFFFAOYSA-N
XLogP13.87
TPSA150.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.29
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole?
The IUPAC name of 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole (CID 157460484) is 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole.
What is the SMILES notation for 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole?
The canonical SMILES for 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole is C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccc3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cccnc3)c21.
What is the InChIKey of 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole?
The InChIKey is BTWCGLUWWZUOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3.2C23H18N4/c1-3-9-18(10-4-1)23-20-14-15-24(17-21(20)26-27-23,19-11-5-2-6-12-19)22-13-7-8-16-25-22;1-2-8-17(9-3-1)23(21-11-5-7-15-25-21)13-12-18-20(16-23)26-27-22(18)19-10-4-6-14-24-19;1-2-8-18(9-3-1)23(21-10-4-5-14-25-21)12-11-19-20(15-23)26-27-22(19)17-7-6-13-24-16-17/h1-16H,17H2,(H,26,27);1-15H,16H2,(H,26,27);1-14,16H,15H2,(H,26,27).
What are the key properties of 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole?
3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole has a molecular weight of 1050.29 g/mol, XLogP of 13.87, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole is sourced from PubChem (CID 157460484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).