4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol

C20H15F2N3O — CID 155151667

IUPAC4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1
InChIInChI=1S/C20H15F2N3O/c21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16/h1-6,10,26H,7-9H2,(H,23,25)
InChIKeyDODIVUMCQVGPKI-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.61
Rot. Bonds1

About 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol

4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol (PubChem CID 155151667) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol
PubChem CID155151667
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESOc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1
InChIInChI=1S/C20H15F2N3O/c21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16/h1-6,10,26H,7-9H2,(H,23,25)
InChIKeyDODIVUMCQVGPKI-UHFFFAOYSA-N
XLogP4.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol (CID 155151667) is 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol is Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.
What is the InChIKey of 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The InChIKey is DODIVUMCQVGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16/h1-6,10,26H,7-9H2,(H,23,25).
What are the key properties of 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol?
4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol has a molecular weight of 351.36 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 155151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).