7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

C106H82F10N14O4 — CID 158365867

IUPAC7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
SMILESOc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1
InChIInChI=1S/C22H17F3N2O.C22H18N4.C21H16F3N3O.C21H16F2N2O.C20H15F2N3O/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(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/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25)
InChIKeyUAVPPMBGLDQVRY-UHFFFAOYSA-N
MW1805.90 g/mol
LogP25.87
Rot. Bonds5

About 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (PubChem CID 158365867) has the molecular formula C106H82F10N14O4 and a molecular weight of 1805.90 g/mol. Its IUPAC name is 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
PubChem CID158365867
Molecular FormulaC106H82F10N14O4
Molecular Weight1805.90 g/mol
Exact Mass1804.65
IUPAC Name7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
SMILESOc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1
InChIInChI=1S/C22H17F3N2O.C22H18N4.C21H16F3N3O.C21H16F2N2O.C20H15F2N3O/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(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/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25)
InChIKeyUAVPPMBGLDQVRY-UHFFFAOYSA-N
XLogP25.87
TPSA278.78 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.90
LogP ≤ 525.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol with MolForge

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Related Compounds

2-Fluoro-4-{3-[5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol
CID 136263922
2-Fluoro-4-[3-(5-quinolin-6-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol
CID 136263928
2-Fluoro-4-[3-(5-quinolin-3-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol
CID 136263929
2-Fluoro-4-[3-(5-[1,8]naphthyridin-3-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol
CID 136263933
5-Ethyl-2-fluoro-4-[3-(5-quinolin-6-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol
CID 136263969
5-Ethyl-2-fluoro-4-[3-(5-quinolin-3-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol
CID 136263978
3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937141
3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937149
3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943307
3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943314
3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
CID 136943316
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943318

Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The IUPAC name of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (CID 158365867) is 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1.
What is the InChIKey of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The InChIKey is UAVPPMBGLDQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O.C22H18N4.C21H16F3N3O.C21H16F2N2O.C20H15F2N3O/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(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/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25).
What are the key properties of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol has a molecular weight of 1805.90 g/mol, XLogP of 25.87, 5 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 158365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).