N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

C253H237F5Fe5N12O5 — CID 162274277

About N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (PubChem CID 162274277) has the molecular formula C253H237F5Fe5N12O5 and a molecular weight of 3899.97 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).

Molecular Properties

• Compound Name: N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
• PubChem CID: 162274277
• Molecular Formula: C253H237F5Fe5N12O5
• Molecular Weight: 3899.97 g/mol
• Exact Mass: 3897.53
• IUPAC Name: N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
• SMILES: C(=N/c1cccc2cccnc12)\c1ccc[nH]1.CC(C)c1ccccc1/N=C/c1ccc[nH]1.CC(C)c1ccccc1/N=C/c1ccc[nH]1.CN(C)Cc1ccccc1/N=C/c1ccc[nH]1.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.Cc1ccccc1/N=C/c1ccc[nH]1.Fc1ccc(C2C(c3ccc(F)cc3)C(c3ccc(F)cc3)C(c3ccc(F)cc3)C2c2ccc(F)cc2)cc1.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(CC2C(Cc3ccccc3)C(Cc3ccccc3)C(Cc3ccccc3)C2Cc2ccccc2)cc1
• InChI: InChI=1S/C40H40O5.C40H40.C35H25F5.2C35H30.C14H11N3.C14H17N3.2C14H16N2.C12H12N2.5Fe/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33;36-26-11-1-21(2-12-26)31-32(22-3-13-27(37)14-4-22)34(24-7-17-29(39)18-8-24)35(25-9-19-30(40)20-10-25)33(31)23-5-15-28(38)16-6-23;2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;2*1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;1-10-5-2-3-7-12(10)14-9-11-6-4-8-13-11;;;;;/h6-25,36-40H,1-5H3;1-25,36-40H,26-30H2;1-20,31-35H;2*1-25,31-35H;1-10,15H;3-10,15H,11H2,1-2H3;2*3-11,15H,1-2H3;2-9,13H,1H3;;;;;/b;;;;;17-10+;3*16-10+;14-9+
• InChIKey: XXUUHMCEGVMSBS-XLYLEBFRSA-N
• XLogP: 62.69
• TPSA: 203.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 49
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3899.97
LogP ≤ 5	62.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?

The IUPAC name of N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (CID 162274277) is N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).

What is the SMILES notation for N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?

The canonical SMILES for N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is C(=N/c1cccc2cccnc12)\c1ccc[nH]1.CC(C)c1ccccc1/N=C/c1ccc[nH]1.CC(C)c1ccccc1/N=C/c1ccc[nH]1.CN(C)Cc1ccccc1/N=C/c1ccc[nH]1.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.Cc1ccccc1/N=C/c1ccc[nH]1.Fc1ccc(C2C(c3ccc(F)cc3)C(c3ccc(F)cc3)C(c3ccc(F)cc3)C2c2ccc(F)cc2)cc1.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(CC2C(Cc3ccccc3)C(Cc3ccccc3)C(Cc3ccccc3)C2Cc2ccccc2)cc1.

What is the InChIKey of N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?

The InChIKey is XXUUHMCEGVMSBS-XLYLEBFRSA-N. The full InChI is InChI=1S/C40H40O5.C40H40.C35H25F5.2C35H30.C14H11N3.C14H17N3.2C14H16N2.C12H12N2.5Fe/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33;36-26-11-1-21(2-12-26)31-32(22-3-13-27(37)14-4-22)34(24-7-17-29(39)18-8-24)35(25-9-19-30(40)20-10-25)33(31)23-5-15-28(38)16-6-23;2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;2*1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;1-10-5-2-3-7-12(10)14-9-11-6-4-8-13-11;;;;;/h6-25,36-40H,1-5H3;1-25,36-40H,26-30H2;1-20,31-35H;2*1-25,31-35H;1-10,15H;3-10,15H,11H2,1-2H3;2*3-11,15H,1-2H3;2-9,13H,1H3;;;;;/b;;;;;17-10+;3*16-10+;14-9+;;;;;.

What are the key properties of N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?

N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) has a molecular weight of 3899.97 g/mol, XLogP of 62.69, 49 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[2-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanamine;1-fluoro-4-[2,3,4,5-tetrakis(4-fluorophenyl)cyclopentyl]benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;N-(2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine;bis(N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine);1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is sourced from PubChem (CID 162274277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).