7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol

C102H86F2N14O2 — CID 163840712

IUPAC7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)nc1.c1cncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1
InChIInChI=1S/C22H20N2O.C21H17FN2.C20H16FN3.C20H17N3.C19H16N4O/c1-13-12-18-19(23-13)10-11-20-21(18)16-4-2-3-5-17(16)22(24-20)14-6-8-15(25)9-7-14;22-14-5-3-4-13(12-14)21-16-7-2-1-6-15(16)20-17-10-11-23-18(17)8-9-19(20)24-21;21-18-8-5-12(11-23-18)20-14-4-2-1-3-13(14)19-15-9-10-22-16(15)6-7-17(19)24-20;1-2-6-15-14(5-1)19-16-9-11-22-17(16)7-8-18(19)23-20(15)13-4-3-10-21-12-13;24-11-5-6-17(20-9-11)19-13-4-2-1-3-12(13)18-14-10-21-23-15(14)7-8-16(18)22-19/h6-12,23,25H,2-5H2,1H3;3-5,8-12,24H,1-2,6-7H2;5-11,24H,1-4H2;3-4,7-12,23H,1-2,5-6H2;5-10,24H,1-4H2,(H,21,23)
InChIKeyJOEUUULKFFNXJQ-UHFFFAOYSA-N
MW1577.90 g/mol
LogP23.89
Rot. Bonds5

About 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol

7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol (PubChem CID 163840712) has the molecular formula C102H86F2N14O2 and a molecular weight of 1577.90 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol.

Molecular Properties

Compound Name7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol
PubChem CID163840712
Molecular FormulaC102H86F2N14O2
Molecular Weight1577.90 g/mol
Exact Mass1576.70
IUPAC Name7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)nc1.c1cncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1
InChIInChI=1S/C22H20N2O.C21H17FN2.C20H16FN3.C20H17N3.C19H16N4O/c1-13-12-18-19(23-13)10-11-20-21(18)16-4-2-3-5-17(16)22(24-20)14-6-8-15(25)9-7-14;22-14-5-3-4-13(12-14)21-16-7-2-1-6-15(16)20-17-10-11-23-18(17)8-9-19(20)24-21;21-18-8-5-12(11-23-18)20-14-4-2-1-3-13(14)19-15-9-10-22-16(15)6-7-17(19)24-20;1-2-6-15-14(5-1)19-16-9-11-22-17(16)7-8-18(19)23-20(15)13-4-3-10-21-12-13;24-11-5-6-17(20-9-11)19-13-4-2-1-3-12(13)18-14-10-21-23-15(14)7-8-16(18)22-19/h6-12,23,25H,2-5H2,1H3;3-5,8-12,24H,1-2,6-7H2;5-11,24H,1-4H2;3-4,7-12,23H,1-2,5-6H2;5-10,24H,1-4H2,(H,21,23)
InChIKeyJOEUUULKFFNXJQ-UHFFFAOYSA-N
XLogP23.89
TPSA235.42 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.90
LogP ≤ 523.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol with MolForge

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Related Compounds

5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137103019
5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113164
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113266
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113551
5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113963
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137114483
5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137114691
5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137115013
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137115093
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137115498
5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137115554
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137115983

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol?
The IUPAC name of 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol (CID 163840712) is 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol.
What is the SMILES notation for 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol?
The canonical SMILES for 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol is Cc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)nc1.c1cncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.
What is the InChIKey of 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol?
The InChIKey is JOEUUULKFFNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.C21H17FN2.C20H16FN3.C20H17N3.C19H16N4O/c1-13-12-18-19(23-13)10-11-20-21(18)16-4-2-3-5-17(16)22(24-20)14-6-8-15(25)9-7-14;22-14-5-3-4-13(12-14)21-16-7-2-1-6-15(16)20-17-10-11-23-18(17)8-9-19(20)24-21;21-18-8-5-12(11-23-18)20-14-4-2-1-3-13(14)19-15-9-10-22-16(15)6-7-17(19)24-20;1-2-6-15-14(5-1)19-16-9-11-22-17(16)7-8-18(19)23-20(15)13-4-3-10-21-12-13;24-11-5-6-17(20-9-11)19-13-4-2-1-3-12(13)18-14-10-21-23-15(14)7-8-16(18)22-19/h6-12,23,25H,2-5H2,1H3;3-5,8-12,24H,1-2,6-7H2;5-11,24H,1-4H2;3-4,7-12,23H,1-2,5-6H2;5-10,24H,1-4H2,(H,21,23).
What are the key properties of 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol?
7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol has a molecular weight of 1577.90 g/mol, XLogP of 23.89, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-3-ol is sourced from PubChem (CID 163840712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).