2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole

C17H16N2 — CID 619222

IUPAC2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
SMILESc1ccc(N2CC3CCc4ccccc4C3=N2)cc1
InChIInChI=1S/C17H16N2/c1-2-7-15(8-3-1)19-12-14-11-10-13-6-4-5-9-16(13)17(14)18-19/h1-9,14H,10-12H2
InChIKeyAZVVFDRHHIKULU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.47
Rot. Bonds1

About 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole

2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole (PubChem CID 619222) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole.

Molecular Properties

Compound Name2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
PubChem CID619222
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
SMILESc1ccc(N2CC3CCc4ccccc4C3=N2)cc1
InChIInChI=1S/C17H16N2/c1-2-7-15(8-3-1)19-12-14-11-10-13-6-4-5-9-16(13)17(14)18-19/h1-9,14H,10-12H2
InChIKeyAZVVFDRHHIKULU-UHFFFAOYSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole?
The IUPAC name of 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole (CID 619222) is 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole.
What is the SMILES notation for 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole?
The canonical SMILES for 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole is c1ccc(N2CC3CCc4ccccc4C3=N2)cc1.
What is the InChIKey of 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole?
The InChIKey is AZVVFDRHHIKULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-7-15(8-3-1)19-12-14-11-10-13-6-4-5-9-16(13)17(14)18-19/h1-9,14H,10-12H2.
What are the key properties of 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole?
2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole has a molecular weight of 248.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole is sourced from PubChem (CID 619222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).