1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine

C155H163F5Fe3N8O2 — CID 162279184

IUPAC1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine
SMILESC(=N/c1cccc2cccnc12)\c1ccc[nH]1.C(=N/c1ccccc1-c1ccccc1)\c1ccc[nH]1.CC(C)(C)c1ccc(C2C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1.CN(C)c1cccc2cccc(/N=C/c3ccc[nH]3)c12.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.Fc1cccc(C2C(c3cccc(F)c3)C(c3cccc(F)c3)C(c3cccc(F)c3)C2c2cccc(F)c2)c1.[Fe].[Fe].[Fe]
InChIInChI=1S/C55H70.C35H25F5.C17H17N3.C17H14N2.C17H26O2.C14H11N3.3Fe/c1-51(2,3)41-26-16-36(17-27-41)46-47(37-18-28-42(29-19-37)52(4,5)6)49(39-22-32-44(33-23-39)54(10,11)12)50(40-24-34-45(35-25-40)55(13,14)15)48(46)38-20-30-43(31-21-38)53(7,8)9;36-26-11-1-6-21(16-26)31-32(22-7-2-12-27(37)17-22)34(24-9-4-14-29(39)19-24)35(25-10-5-15-30(40)20-25)33(31)23-8-3-13-28(38)18-23;1-20(2)16-10-4-7-13-6-3-9-15(17(13)16)19-12-14-8-5-11-18-14;1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;/h16-35,46-50H,1-15H3;1-20,31-35H;3-12,18H,1-2H3;1-13,18H;7-13,17H,1-6H3;1-10,15H;;;/b;;19-12+;19-13+;;17-10+;;;
InChIKeyHGIKIBMGNKZKEA-ZBHYMHEJSA-N
MW2432.59 g/mol
LogP41.09
Rot. Bonds21

About 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine

1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine (PubChem CID 162279184) has the molecular formula C155H163F5Fe3N8O2 and a molecular weight of 2432.59 g/mol. Its IUPAC name is 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine.

Molecular Properties

Compound Name1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine
PubChem CID162279184
Molecular FormulaC155H163F5Fe3N8O2
Molecular Weight2432.59 g/mol
Exact Mass2431.09
IUPAC Name1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine
SMILESC(=N/c1cccc2cccnc12)\c1ccc[nH]1.C(=N/c1ccccc1-c1ccccc1)\c1ccc[nH]1.CC(C)(C)c1ccc(C2C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1.CN(C)c1cccc2cccc(/N=C/c3ccc[nH]3)c12.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.Fc1cccc(C2C(c3cccc(F)c3)C(c3cccc(F)c3)C(c3cccc(F)c3)C2c2cccc(F)c2)c1.[Fe].[Fe].[Fe]
InChIInChI=1S/C55H70.C35H25F5.C17H17N3.C17H14N2.C17H26O2.C14H11N3.3Fe/c1-51(2,3)41-26-16-36(17-27-41)46-47(37-18-28-42(29-19-37)52(4,5)6)49(39-22-32-44(33-23-39)54(10,11)12)50(40-24-34-45(35-25-40)55(13,14)15)48(46)38-20-30-43(31-21-38)53(7,8)9;36-26-11-1-6-21(16-26)31-32(22-7-2-12-27(37)17-22)34(24-9-4-14-29(39)19-24)35(25-10-5-15-30(40)20-25)33(31)23-8-3-13-28(38)18-23;1-20(2)16-10-4-7-13-6-3-9-15(17(13)16)19-12-14-8-5-11-18-14;1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;/h16-35,46-50H,1-15H3;1-20,31-35H;3-12,18H,1-2H3;1-13,18H;7-13,17H,1-6H3;1-10,15H;;;/b;;19-12+;19-13+;;17-10+;;;
InChIKeyHGIKIBMGNKZKEA-ZBHYMHEJSA-N
XLogP41.09
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002432.59
LogP ≤ 541.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine?
The IUPAC name of 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine (CID 162279184) is 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine.
What is the SMILES notation for 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine?
The canonical SMILES for 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine is C(=N/c1cccc2cccnc12)\c1ccc[nH]1.C(=N/c1ccccc1-c1ccccc1)\c1ccc[nH]1.CC(C)(C)c1ccc(C2C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C(c3ccc(C(C)(C)C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1.CN(C)c1cccc2cccc(/N=C/c3ccc[nH]3)c12.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.Fc1cccc(C2C(c3cccc(F)c3)C(c3cccc(F)c3)C(c3cccc(F)c3)C2c2cccc(F)c2)c1.[Fe].[Fe].[Fe].
What is the InChIKey of 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine?
The InChIKey is HGIKIBMGNKZKEA-ZBHYMHEJSA-N. The full InChI is InChI=1S/C55H70.C35H25F5.C17H17N3.C17H14N2.C17H26O2.C14H11N3.3Fe/c1-51(2,3)41-26-16-36(17-27-41)46-47(37-18-28-42(29-19-37)52(4,5)6)49(39-22-32-44(33-23-39)54(10,11)12)50(40-24-34-45(35-25-40)55(13,14)15)48(46)38-20-30-43(31-21-38)53(7,8)9;36-26-11-1-6-21(16-26)31-32(22-7-2-12-27(37)17-22)34(24-9-4-14-29(39)19-24)35(25-10-5-15-30(40)20-25)33(31)23-8-3-13-28(38)18-23;1-20(2)16-10-4-7-13-6-3-9-15(17(13)16)19-12-14-8-5-11-18-14;1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-13-15-9-6-12-18-15;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;/h16-35,46-50H,1-15H3;1-20,31-35H;3-12,18H,1-2H3;1-13,18H;7-13,17H,1-6H3;1-10,15H;;;/b;;19-12+;19-13+;;17-10+;;;.
What are the key properties of 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine?
1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine has a molecular weight of 2432.59 g/mol, XLogP of 41.09, 21 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;N,N-dimethyl-8-(1H-pyrrol-2-ylmethylideneamino)naphthalen-1-amine;1-fluoro-3-[2,3,4,5-tetrakis(3-fluorophenyl)cyclopentyl]benzene;iron;N-(2-phenylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine is sourced from PubChem (CID 162279184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).