carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C105H89F2N13O4 — CID 176530547

IUPACcarbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.Cc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=C=O.c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C22H20N2O.C21H17FN2.C21H19N3O.C20H16FN3.C20H17N3.CO2/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;1-12-19-18(24-23-12)11-10-17-20(19)15-4-2-3-5-16(15)21(22-17)13-6-8-14(25)9-7-13;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;1-2-6-13(7-3-1)20-15-9-5-4-8-14(15)19-16-12-21-23-17(16)10-11-18(19)22-20;2-1-3/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;6-11,25H,2-5H2,1H3,(H,23,24);5-11H,1-4H2,(H,22,24);1-3,6-7,10-12H,4-5,8-9H2,(H,21,23);
InChIKeyFKRFUDQYNFBXEF-UHFFFAOYSA-N
MW1634.95 g/mol
LogP24.22
Rot. Bonds5

About carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 176530547) has the molecular formula C105H89F2N13O4 and a molecular weight of 1634.95 g/mol. Its IUPAC name is carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Namecarbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID176530547
Molecular FormulaC105H89F2N13O4
Molecular Weight1634.95 g/mol
Exact Mass1633.71
IUPAC Namecarbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.Cc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=C=O.c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C22H20N2O.C21H17FN2.C21H19N3O.C20H16FN3.C20H17N3.CO2/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;1-12-19-18(24-23-12)11-10-17-20(19)15-4-2-3-5-16(15)21(22-17)13-6-8-14(25)9-7-13;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;1-2-6-13(7-3-1)20-15-9-5-4-8-14(15)19-16-12-21-23-17(16)10-11-18(19)22-20;2-1-3/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;6-11,25H,2-5H2,1H3,(H,23,24);5-11H,1-4H2,(H,22,24);1-3,6-7,10-12H,4-5,8-9H2,(H,21,23);
InChIKeyFKRFUDQYNFBXEF-UHFFFAOYSA-N
XLogP24.22
TPSA256.67 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001634.95
LogP ≤ 524.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine with MolForge

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Related Compounds

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445494
2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445493
2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445580
2,6-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 153521502
2,3-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 153521503
3,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 153521581
4-(9,9-Difluoro-3,8,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-7-yl)phenol
CID 155151667
3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
CID 155151882
2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
CID 155151980
4-[1-(3-aminoprop-1-ynyl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;2-[4-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]acetic acid;4-[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[1-(2H-tetrazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
CID 157464873
1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
CID 158021474
7-[1-(2-chloroethyl)pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1,2-dimethyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridine;5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;3-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol
CID 158330398

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 176530547) is carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is Cc1[nH]nc2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.Cc1cc2c(ccc3nc(-c4ccc(O)cc4)c4c(c32)CCCC4)[nH]1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=C=O.c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.
What is the InChIKey of carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is FKRFUDQYNFBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.C21H17FN2.C21H19N3O.C20H16FN3.C20H17N3.CO2/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;1-12-19-18(24-23-12)11-10-17-20(19)15-4-2-3-5-16(15)21(22-17)13-6-8-14(25)9-7-13;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;1-2-6-13(7-3-1)20-15-9-5-4-8-14(15)19-16-12-21-23-17(16)10-11-18(19)22-20;2-1-3/h6-12,23,25H,2-5H2,1H3;5-12,24H,1-4H2;6-11,25H,2-5H2,1H3,(H,23,24);5-11H,1-4H2,(H,22,24);1-3,6-7,10-12H,4-5,8-9H2,(H,21,23);.
What are the key properties of carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 1634.95 g/mol, XLogP of 24.22, 5 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 176530547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).