2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol

C102H84F2N12O5S — CID 162189321

About 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol

2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol (PubChem CID 162189321) has the molecular formula C102H84F2N12O5S and a molecular weight of 1627.94 g/mol. Its IUPAC name is 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol.

Molecular Properties

• Compound Name: 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol
• PubChem CID: 162189321
• Molecular Formula: C102H84F2N12O5S
• Molecular Weight: 1627.94 g/mol
• Exact Mass: 1626.64
• IUPAC Name: 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol
• SMILES: Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c[nH]1.Oc1c(F)cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2nc3ccc4occc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4sccc4c3c3c2CCCC3)cc1
• InChI: InChI=1S/C21H17NO2.C21H17NOS.C20H15F2N3O.C20H18N4.C20H17N3O/c2*23-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-24-19(17)10-9-18(20)22-21;21-14-7-10(8-15(22)20(14)26)19-12-4-2-1-3-11(12)18-13-9-23-25-16(13)5-6-17(18)24-19;21-13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;24-18-8-5-12(11-22-18)20-14-4-2-1-3-13(14)19-15-9-10-21-16(15)6-7-17(19)23-20/h2*5-12,23H,1-4H2;5-9,26H,1-4H2,(H,23,25);5-11H,1-4,21H2,(H,22,24);5-11,23H,1-4H2,(H,22,24)
• InChIKey: IUFDUIBAUBDADM-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 270.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1627.94
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol?

The IUPAC name of 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol (CID 162189321) is 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol.

What is the SMILES notation for 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol?

The canonical SMILES for 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol is Nc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c[nH]1.Oc1c(F)cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2nc3ccc4occc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4sccc4c3c3c2CCCC3)cc1.

What is the InChIKey of 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol?

The InChIKey is IUFDUIBAUBDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2.C21H17NOS.C20H15F2N3O.C20H18N4.C20H17N3O/c2*23-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-24-19(17)10-9-18(20)22-21;21-14-7-10(8-15(22)20(14)26)19-12-4-2-1-3-11(12)18-13-9-23-25-16(13)5-6-17(18)24-19;21-13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;24-18-8-5-12(11-22-18)20-14-4-2-1-3-13(14)19-15-9-10-21-16(15)6-7-17(19)23-20/h2*5-12,23H,1-4H2;5-9,26H,1-4H2,(H,23,25);5-11H,1-4,21H2,(H,22,24);5-11,23H,1-4H2,(H,22,24).

What are the key properties of 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol?

2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol has a molecular weight of 1627.94 g/mol, XLogP of 23.76, 5 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydrofuro[3,2-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)aniline;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one;4-(8,9,10,11-tetrahydrothieno[3,2-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 162189321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).