(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole

C24H22N4 — CID 90673957

IUPAC(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
SMILESc1ccc(-n2ncc3c2[C@H]2CCc4cnn(-c5ccccc5)c4[C@@H]2CC3)cc1
InChIInChI=1S/C24H22N4/c1-3-7-19(8-4-1)27-23-17(15-25-27)11-14-22-21(23)13-12-18-16-26-28(24(18)22)20-9-5-2-6-10-20/h1-10,15-16,21-22H,11-14H2/t21-,22+
InChIKeyJYPFQCIAJSLJJR-SZPZYZBQSA-N
MW366.47 g/mol
LogP4.82
Rot. Bonds2

About (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole

(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole (PubChem CID 90673957) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole.

Molecular Properties

Compound Name(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
PubChem CID90673957
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
SMILESc1ccc(-n2ncc3c2[C@H]2CCc4cnn(-c5ccccc5)c4[C@@H]2CC3)cc1
InChIInChI=1S/C24H22N4/c1-3-7-19(8-4-1)27-23-17(15-25-27)11-14-22-21(23)13-12-18-16-26-28(24(18)22)20-9-5-2-6-10-20/h1-10,15-16,21-22H,11-14H2/t21-,22+
InChIKeyJYPFQCIAJSLJJR-SZPZYZBQSA-N
XLogP4.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole?
The IUPAC name of (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole (CID 90673957) is (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole.
What is the SMILES notation for (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole?
The canonical SMILES for (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole is c1ccc(-n2ncc3c2[C@H]2CCc4cnn(-c5ccccc5)c4[C@@H]2CC3)cc1.
What is the InChIKey of (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole?
The InChIKey is JYPFQCIAJSLJJR-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H22N4/c1-3-7-19(8-4-1)27-23-17(15-25-27)11-14-22-21(23)13-12-18-16-26-28(24(18)22)20-9-5-2-6-10-20/h1-10,15-16,21-22H,11-14H2/t21-,22+.
What are the key properties of (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole?
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole has a molecular weight of 366.47 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole is sourced from PubChem (CID 90673957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).