9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine

C135H126F8N8O11 — CID 157478061

IUPAC9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine
SMILESCC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2cc(F)ccc12.CC(C)Oc1nc2ccccc2c2cccc(F)c12.COc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12.COc1ccc2c(c1)nc(OC(C)C)c1ccccc12.Cc1ccc2c(OC(C)C)nc3cc(F)ccc3c2c1.Cc1ccc2c(OC(C)C)nc3ccccc3c2c1.Cc1ccc2c(c1)c(OC(C)C)nc1cc(F)ccc12.Cc1ccc2c(c1)c(OC(C)C)nc1ccccc12
InChIInChI=1S/C17H13F4NO2.C17H16FNO2.2C17H16FNO.C17H17NO2.2C17H17NO.C16H14FNO/c1-9(2)23-16-13-5-3-10(18)7-14(13)12-6-4-11(8-15(12)22-16)24-17(19,20)21;1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17;1-10(2)20-17-14-6-4-11(3)8-15(14)13-7-5-12(18)9-16(13)19-17;1-10(2)20-17-15-8-11(3)4-6-13(15)14-7-5-12(18)9-16(14)19-17;1-11(2)20-17-15-7-5-4-6-13(15)14-9-8-12(19-3)10-16(14)18-17;1-11(2)19-17-15-10-12(3)8-9-13(15)14-6-4-5-7-16(14)18-17;1-11(2)19-17-14-9-8-12(3)10-15(14)13-6-4-5-7-16(13)18-17;1-10(2)19-16-15-12(7-5-8-13(15)17)11-6-3-4-9-14(11)18-16/h3-9H,1-2H3;4-10H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;2*4-11H,1-3H3;3-10H,1-2H3
InChIKeyBVVGKFQZDFTAIU-UHFFFAOYSA-N
MW2188.52 g/mol
LogP36.25
Rot. Bonds19

About 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine

9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine (PubChem CID 157478061) has the molecular formula C135H126F8N8O11 and a molecular weight of 2188.52 g/mol. Its IUPAC name is 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine.

Molecular Properties

Compound Name9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine
PubChem CID157478061
Molecular FormulaC135H126F8N8O11
Molecular Weight2188.52 g/mol
Exact Mass2186.94
IUPAC Name9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine
SMILESCC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2cc(F)ccc12.CC(C)Oc1nc2ccccc2c2cccc(F)c12.COc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12.COc1ccc2c(c1)nc(OC(C)C)c1ccccc12.Cc1ccc2c(OC(C)C)nc3cc(F)ccc3c2c1.Cc1ccc2c(OC(C)C)nc3ccccc3c2c1.Cc1ccc2c(c1)c(OC(C)C)nc1cc(F)ccc12.Cc1ccc2c(c1)c(OC(C)C)nc1ccccc12
InChIInChI=1S/C17H13F4NO2.C17H16FNO2.2C17H16FNO.C17H17NO2.2C17H17NO.C16H14FNO/c1-9(2)23-16-13-5-3-10(18)7-14(13)12-6-4-11(8-15(12)22-16)24-17(19,20)21;1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17;1-10(2)20-17-14-6-4-11(3)8-15(14)13-7-5-12(18)9-16(13)19-17;1-10(2)20-17-15-8-11(3)4-6-13(15)14-7-5-12(18)9-16(14)19-17;1-11(2)20-17-15-7-5-4-6-13(15)14-9-8-12(19-3)10-16(14)18-17;1-11(2)19-17-15-10-12(3)8-9-13(15)14-6-4-5-7-16(14)18-17;1-11(2)19-17-14-9-8-12(3)10-15(14)13-6-4-5-7-16(13)18-17;1-10(2)19-16-15-12(7-5-8-13(15)17)11-6-3-4-9-14(11)18-16/h3-9H,1-2H3;4-10H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;2*4-11H,1-3H3;3-10H,1-2H3
InChIKeyBVVGKFQZDFTAIU-UHFFFAOYSA-N
XLogP36.25
TPSA204.65 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002188.52
LogP ≤ 536.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine with MolForge

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Related Compounds

7-(2-Ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline
CID 52942368
3-Methoxy-9-(trifluoromethyl)-12-[4-(trifluoromethyl)phenyl]benzo[b]acridine;hydrochloride
CID 137640375
6-(Fluoromethyl)-3-methoxy-8-phenylphenanthridine
CID 135030492
8-(4-Decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine
CID 23295411
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline
CID 58773452
6-[1,1,1,3,3,3-Hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline
CID 59685794
6-Propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
CID 71037206
9-Fluoro-3-methoxy-6-propan-2-yloxyphenanthridine
CID 71037209
9-Fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
CID 71037214
8-Fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine
CID 71037215
3,5,9,11,15,24-Hexamethoxy-6,12,23-tris[4-(trifluoromethyl)phenyl]-2,8,14-triazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 141245188
2-(4-Methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline
CID 142951872

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine?
The IUPAC name of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine (CID 157478061) is 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine.
What is the SMILES notation for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine?
The canonical SMILES for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine is CC(C)Oc1nc2cc(OC(F)(F)F)ccc2c2cc(F)ccc12.CC(C)Oc1nc2ccccc2c2cccc(F)c12.COc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12.COc1ccc2c(c1)nc(OC(C)C)c1ccccc12.Cc1ccc2c(OC(C)C)nc3cc(F)ccc3c2c1.Cc1ccc2c(OC(C)C)nc3ccccc3c2c1.Cc1ccc2c(c1)c(OC(C)C)nc1cc(F)ccc12.Cc1ccc2c(c1)c(OC(C)C)nc1ccccc12.
What is the InChIKey of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine?
The InChIKey is BVVGKFQZDFTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2.C17H16FNO2.2C17H16FNO.C17H17NO2.2C17H17NO.C16H14FNO/c1-9(2)23-16-13-5-3-10(18)7-14(13)12-6-4-11(8-15(12)22-16)24-17(19,20)21;1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17;1-10(2)20-17-14-6-4-11(3)8-15(14)13-7-5-12(18)9-16(13)19-17;1-10(2)20-17-15-8-11(3)4-6-13(15)14-7-5-12(18)9-16(14)19-17;1-11(2)20-17-15-7-5-4-6-13(15)14-9-8-12(19-3)10-16(14)18-17;1-11(2)19-17-15-10-12(3)8-9-13(15)14-6-4-5-7-16(14)18-17;1-11(2)19-17-14-9-8-12(3)10-15(14)13-6-4-5-7-16(13)18-17;1-10(2)19-16-15-12(7-5-8-13(15)17)11-6-3-4-9-14(11)18-16/h3-9H,1-2H3;4-10H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;2*4-11H,1-3H3;3-10H,1-2H3.
What are the key properties of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine?
9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine has a molecular weight of 2188.52 g/mol, XLogP of 36.25, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine;3-fluoro-8-methyl-6-propan-2-yloxyphenanthridine;3-fluoro-9-methyl-6-propan-2-yloxyphenanthridine;7-fluoro-6-propan-2-yloxyphenanthridine;9-fluoro-6-propan-2-yloxy-3-(trifluoromethoxy)phenanthridine;3-methoxy-6-propan-2-yloxyphenanthridine;8-methyl-6-propan-2-yloxyphenanthridine;9-methyl-6-propan-2-yloxyphenanthridine is sourced from PubChem (CID 157478061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).