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

C104H87ClF2N12O2 — CID 161025840

IUPAC7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Clc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Fc1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)nc1
InChIInChI=1S/C22H20N2O.C21H17ClN2.C21H17FN2.C20H16FN3.C20H17N3O/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;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;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;21-13-5-3-4-12(10-13)20-15-7-2-1-6-14(15)19-16-11-22-24-17(16)8-9-18(19)23-20;24-12-5-6-18(22-11-12)20-14-4-2-1-3-13(14)19-15-9-10-21-16(15)7-8-17(19)23-20/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;3-5,8-12,24H,1-2,6-7H2;3-5,8-11H,1-2,6-7H2,(H,22,24);5-11,23-24H,1-4H2
InChIKeyWYNVPXQTKJZSPS-UHFFFAOYSA-N
MW1610.37 g/mol
LogP25.75
Rot. Bonds5

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

7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol (PubChem CID 161025840) has the molecular formula C104H87ClF2N12O2 and a molecular weight of 1610.37 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol.

Molecular Properties

Compound Name7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol
PubChem CID161025840
Molecular FormulaC104H87ClF2N12O2
Molecular Weight1610.37 g/mol
Exact Mass1608.67
IUPAC Name7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Clc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Fc1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)nc1
InChIInChI=1S/C22H20N2O.C21H17ClN2.C21H17FN2.C20H16FN3.C20H17N3O/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;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;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;21-13-5-3-4-12(10-13)20-15-7-2-1-6-14(15)19-16-11-22-24-17(16)8-9-18(19)23-20;24-12-5-6-18(22-11-12)20-14-4-2-1-3-13(14)19-15-9-10-21-16(15)7-8-17(19)23-20/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;3-5,8-12,24H,1-2,6-7H2;3-5,8-11H,1-2,6-7H2,(H,22,24);5-11,23-24H,1-4H2
InChIKeyWYNVPXQTKJZSPS-UHFFFAOYSA-N
XLogP25.75
TPSA209.64 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.37
LogP ≤ 525.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol?
The IUPAC name of 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol (CID 161025840) is 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol.
What is the SMILES notation for 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol?
The canonical SMILES for 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol is Cc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Clc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1cccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.Fc1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)nc1.
What is the InChIKey of 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol?
The InChIKey is WYNVPXQTKJZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.C21H17ClN2.C21H17FN2.C20H16FN3.C20H17N3O/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;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;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;21-13-5-3-4-12(10-13)20-15-7-2-1-6-14(15)19-16-11-22-24-17(16)8-9-18(19)23-20;24-12-5-6-18(22-11-12)20-14-4-2-1-3-13(14)19-15-9-10-21-16(15)7-8-17(19)23-20/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;3-5,8-12,24H,1-2,6-7H2;3-5,8-11H,1-2,6-7H2,(H,22,24);5-11,23-24H,1-4H2.
What are the key properties of 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol?
7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol has a molecular weight of 1610.37 g/mol, XLogP of 25.75, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(3-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-fluorophenyl)-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;6-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)pyridin-3-ol is sourced from PubChem (CID 161025840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).