4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride

C101H100Br3Cl2F4N10O10P3+6 — CID 160964596

IUPAC4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride
SMILESBr.Br.Br.CCOP(=O)(CC[n+]1ccc(-c2cc[n+](-c3ccc(C4(c5ccc(-[n+]6ccc(-c7cc[n+](CCP(C)(C)=O)cc7)cc6)c(F)c5)c5ccccc5-c5ccccc54)cc3F)cc2)cc1)OCC.CCOP(C)(=O)CC[n+]1ccc(-c2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1.Cl.Cl.Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C55H54F2N4O4P2.C25H18F2N2.C21H23N4O6P.3BrH.2ClH/c1-5-64-67(63,65-6-2)38-36-59-29-21-42(22-30-59)44-25-33-61(34-26-44)54-18-16-46(40-52(54)57)55(49-13-9-7-11-47(49)48-12-8-10-14-50(48)55)45-15-17-53(51(56)39-45)60-31-23-43(24-32-60)41-19-27-58(28-20-41)35-37-66(3,4)62;26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25;1-3-31-32(2,30)15-14-22-10-6-17(7-11-22)18-8-12-23(13-9-18)20-5-4-19(24(26)27)16-21(20)25(28)29;;;;;/h7-34,39-40H,5-6,35-38H2,1-4H3;1-14H,28-29H2;4-13,16H,3,14-15H2,1-2H3;5*1H/q+4;;+2;;;;;
InChIKeyHTXRELNFQJONIV-UHFFFAOYSA-N
MW2093.50 g/mol
LogP22.43
Rot. Bonds27

About 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride

4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride (PubChem CID 160964596) has the molecular formula C101H100Br3Cl2F4N10O10P3+6 and a molecular weight of 2093.50 g/mol. Its IUPAC name is 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride.

Molecular Properties

Compound Name4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride
PubChem CID160964596
Molecular FormulaC101H100Br3Cl2F4N10O10P3+6
Molecular Weight2093.50 g/mol
Exact Mass2088.37
IUPAC Name4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride
SMILESBr.Br.Br.CCOP(=O)(CC[n+]1ccc(-c2cc[n+](-c3ccc(C4(c5ccc(-[n+]6ccc(-c7cc[n+](CCP(C)(C)=O)cc7)cc6)c(F)c5)c5ccccc5-c5ccccc54)cc3F)cc2)cc1)OCC.CCOP(C)(=O)CC[n+]1ccc(-c2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1.Cl.Cl.Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C55H54F2N4O4P2.C25H18F2N2.C21H23N4O6P.3BrH.2ClH/c1-5-64-67(63,65-6-2)38-36-59-29-21-42(22-30-59)44-25-33-61(34-26-44)54-18-16-46(40-52(54)57)55(49-13-9-7-11-47(49)48-12-8-10-14-50(48)55)45-15-17-53(51(56)39-45)60-31-23-43(24-32-60)41-19-27-58(28-20-41)35-37-66(3,4)62;26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25;1-3-31-32(2,30)15-14-22-10-6-17(7-11-22)18-8-12-23(13-9-18)20-5-4-19(24(26)27)16-21(20)25(28)29;;;;;/h7-34,39-40H,5-6,35-38H2,1-4H3;1-14H,28-29H2;4-13,16H,3,14-15H2,1-2H3;5*1H/q+4;;+2;;;;;
InChIKeyHTXRELNFQJONIV-UHFFFAOYSA-N
XLogP22.43
TPSA240.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.50
LogP ≤ 522.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride with MolForge

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Related Compounds

4-[4-[1-(2-amino-4-nitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-nitroaniline
CID 144970218
4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-methylpyridin-1-ium;1-methyl-4-pyridin-4-ylpyridin-1-ium;trichloride
CID 158426643
[1-[[4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]cyclohexa-2,4-dien-1-yl]-dioxido-oxo-λ5-phosphane
CID 172749236
1-(2,4-dinitrophenyl)-4-[4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]phenyl]pyridin-1-ium;bis(4-methylbenzenesulfonate)
CID 140885425
1-(2,4-dinitrophenyl)-4-pyridin-4-ylpyridin-1-ium;9H-fluoren-2-amine;1-(9H-fluoren-2-yl)-4-pyridin-4-ylpyridin-1-ium;dichloride
CID 158104379
1-(2,4-dinitrophenyl)pyridin-1-ium-4-carboxamide;hydrochloride
CID 86761100
1-(2,4-dinitrophenyl)-4-methylpyridin-1-ium;2-nitrophenolate
CID 11058408
1-(2,4-dinitrophenyl)-4-methoxypyridin-1-ium-3-sulfonamide
CID 139216729
4-(diethoxyphosphorylmethyl)-2-fluoroaniline
CID 86697720
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
[4-[9-[4-(3-nitrobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-nitrobenzoate
CID 89226172
1-[butyl(ethoxy)phosphoryl]oxy-3-nitrobenzene
CID 91711165

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride?
The IUPAC name of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride (CID 160964596) is 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride.
What is the SMILES notation for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride?
The canonical SMILES for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride is Br.Br.Br.CCOP(=O)(CC[n+]1ccc(-c2cc[n+](-c3ccc(C4(c5ccc(-[n+]6ccc(-c7cc[n+](CCP(C)(C)=O)cc7)cc6)c(F)c5)c5ccccc5-c5ccccc54)cc3F)cc2)cc1)OCC.CCOP(C)(=O)CC[n+]1ccc(-c2cc[n+](-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1.Cl.Cl.Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F.
What is the InChIKey of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride?
The InChIKey is HTXRELNFQJONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54F2N4O4P2.C25H18F2N2.C21H23N4O6P.3BrH.2ClH/c1-5-64-67(63,65-6-2)38-36-59-29-21-42(22-30-59)44-25-33-61(34-26-44)54-18-16-46(40-52(54)57)55(49-13-9-7-11-47(49)48-12-8-10-14-50(48)55)45-15-17-53(51(56)39-45)60-31-23-43(24-32-60)41-19-27-58(28-20-41)35-37-66(3,4)62;26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25;1-3-31-32(2,30)15-14-22-10-6-17(7-11-22)18-8-12-23(13-9-18)20-5-4-19(24(26)27)16-21(20)25(28)29;;;;;/h7-34,39-40H,5-6,35-38H2,1-4H3;1-14H,28-29H2;4-13,16H,3,14-15H2,1-2H3;5*1H/q+4;;+2;;;;;.
What are the key properties of 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride?
4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride has a molecular weight of 2093.50 g/mol, XLogP of 22.43, 27 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-3-fluorophenyl)fluoren-9-yl]-2-fluoroaniline;4-[1-[4-[9-[4-[4-[1-(2-diethoxyphosphorylethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-3-fluorophenyl]fluoren-9-yl]-2-fluorophenyl]pyridin-1-ium-4-yl]-1-(2-dimethylphosphorylethyl)pyridin-1-ium;4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-1-[2-[ethoxy(methyl)phosphoryl]ethyl]pyridin-1-ium;trihydrobromide;dihydrochloride is sourced from PubChem (CID 160964596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).