4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

C112H100FN13O5 — CID 163727103

IUPAC4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
SMILESCn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.OCCN(CCO)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]c5ccccc5c4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.c1cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)ccn1
InChIInChI=1S/C25H27N3O2.C25H20N2O.C22H20N2O.C20H16FN3O.C20H17N3/c29-15-13-28(14-16-30)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-11-12-26-22(21)9-10-23(24)27-25;28-16-11-9-15(10-12-16)25-18-6-2-1-5-17(18)23-22(27-25)14-13-21-24(23)19-7-3-4-8-20(19)26-21;1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14;21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20;1-2-4-15-14(3-1)19-16-9-12-22-17(16)5-6-18(19)23-20(15)13-7-10-21-11-8-13/h5-12,27,29-30H,1-4,13-16H2;3-4,7-14,26,28H,1-2,5-6H2;6-13,25H,2-5H2,1H3;5-10,25H,1-4H2,(H,22,24);5-12,23H,1-4H2
InChIKeyAJRKJFCNZWITNJ-UHFFFAOYSA-N
MW1727.12 g/mol
LogP24.31
Rot. Bonds10

About 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (PubChem CID 163727103) has the molecular formula C112H100FN13O5 and a molecular weight of 1727.12 g/mol. Its IUPAC name is 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

Molecular Properties

Compound Name4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
PubChem CID163727103
Molecular FormulaC112H100FN13O5
Molecular Weight1727.12 g/mol
Exact Mass1725.80
IUPAC Name4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
SMILESCn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.OCCN(CCO)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]c5ccccc5c4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.c1cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)ccn1
InChIInChI=1S/C25H27N3O2.C25H20N2O.C22H20N2O.C20H16FN3O.C20H17N3/c29-15-13-28(14-16-30)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-11-12-26-22(21)9-10-23(24)27-25;28-16-11-9-15(10-12-16)25-18-6-2-1-5-17(18)23-22(27-25)14-13-21-24(23)19-7-3-4-8-20(19)26-21;1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14;21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20;1-2-4-15-14(3-1)19-16-9-12-22-17(16)5-6-18(19)23-20(15)13-7-10-21-11-8-13/h5-12,27,29-30H,1-4,13-16H2;3-4,7-14,26,28H,1-2,5-6H2;6-13,25H,2-5H2,1H3;5-10,25H,1-4H2,(H,22,24);5-12,23H,1-4H2
InChIKeyAJRKJFCNZWITNJ-UHFFFAOYSA-N
XLogP24.31
TPSA262.71 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.12
LogP ≤ 524.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The IUPAC name of 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (CID 163727103) is 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.
What is the SMILES notation for 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The canonical SMILES for 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is Cn1ccc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.OCCN(CCO)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]c5ccccc5c4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.c1cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)ccn1.
What is the InChIKey of 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
The InChIKey is AJRKJFCNZWITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.C25H20N2O.C22H20N2O.C20H16FN3O.C20H17N3/c29-15-13-28(14-16-30)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-11-12-26-22(21)9-10-23(24)27-25;28-16-11-9-15(10-12-16)25-18-6-2-1-5-17(18)23-22(27-25)14-13-21-24(23)19-7-3-4-8-20(19)26-21;1-24-13-12-18-20(24)11-10-19-21(18)16-4-2-3-5-17(16)22(23-19)14-6-8-15(25)9-7-14;21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20;1-2-4-15-14(3-1)19-16-9-12-22-17(16)5-6-18(19)23-20(15)13-7-10-21-11-8-13/h5-12,27,29-30H,1-4,13-16H2;3-4,7-14,26,28H,1-2,5-6H2;6-13,25H,2-5H2,1H3;5-10,25H,1-4H2,(H,22,24);5-12,23H,1-4H2.
What are the key properties of 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?
4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine has a molecular weight of 1727.12 g/mol, XLogP of 24.31, 10 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,14-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21)-octaen-15-yl)phenol;2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)anilino]ethanol;4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-4-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is sourced from PubChem (CID 163727103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).