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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene

C157H149F5Fe3N8O5 — CID 162274279

IUPACN,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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene
SMILESC(=N/c1cccc2cccnc12)\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.Fc1ccc(C2C(c3ccc(F)cc3)C(c3ccc(F)cc3)C(c3ccc(F)cc3)C2c2ccc(F)cc2)cc1.[Fe].[Fe].[Fe].c1ccc(CC2C(Cc3ccccc3)C(Cc3ccccc3)C(Cc3ccccc3)C2Cc2ccccc2)cc1
InChIInChI=1S/C40H40O5.C40H40.C35H25F5.C14H11N3.C14H17N3.C14H16N2.3Fe/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;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;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;;;/h6-25,36-40H,1-5H3;1-25,36-40H,26-30H2;1-20,31-35H;1-10,15H;3-10,15H,11H2,1-2H3;3-11,15H,1-2H3;;;/b;;;17-10+;2*16-10+;;;
InChIKeyOJVNPMGQZPUVMF-TWQJIUSNSA-N
MW2490.49 g/mol
LogP37.89
Rot. Bonds34

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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene

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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene (PubChem CID 162274279) has the molecular formula C157H149F5Fe3N8O5 and a molecular weight of 2490.49 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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene.

Molecular Properties

Compound NameN,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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene
PubChem CID162274279
Molecular FormulaC157H149F5Fe3N8O5
Molecular Weight2490.49 g/mol
Exact Mass2488.96
IUPAC NameN,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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene
SMILESC(=N/c1cccc2cccnc12)\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.Fc1ccc(C2C(c3ccc(F)cc3)C(c3ccc(F)cc3)C(c3ccc(F)cc3)C2c2ccc(F)cc2)cc1.[Fe].[Fe].[Fe].c1ccc(CC2C(Cc3ccccc3)C(Cc3ccccc3)C(Cc3ccccc3)C2Cc2ccccc2)cc1
InChIInChI=1S/C40H40O5.C40H40.C35H25F5.C14H11N3.C14H17N3.C14H16N2.3Fe/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;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;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;;;/h6-25,36-40H,1-5H3;1-25,36-40H,26-30H2;1-20,31-35H;1-10,15H;3-10,15H,11H2,1-2H3;3-11,15H,1-2H3;;;/b;;;17-10+;2*16-10+;;;
InChIKeyOJVNPMGQZPUVMF-TWQJIUSNSA-N
XLogP37.89
TPSA146.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002490.49
LogP ≤ 537.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene with MolForge

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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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene?
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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene (CID 162274279) 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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene.
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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene?
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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene is C(=N/c1cccc2cccnc12)\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.Fc1ccc(C2C(c3ccc(F)cc3)C(c3ccc(F)cc3)C(c3ccc(F)cc3)C2c2ccc(F)cc2)cc1.[Fe].[Fe].[Fe].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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene?
The InChIKey is OJVNPMGQZPUVMF-TWQJIUSNSA-N. The full InChI is InChI=1S/C40H40O5.C40H40.C35H25F5.C14H11N3.C14H17N3.C14H16N2.3Fe/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;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;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;;;/h6-25,36-40H,1-5H3;1-25,36-40H,26-30H2;1-20,31-35H;1-10,15H;3-10,15H,11H2,1-2H3;3-11,15H,1-2H3;;;/b;;;17-10+;2*16-10+;;;.
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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene?
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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene has a molecular weight of 2490.49 g/mol, XLogP of 37.89, 34 rotatable bonds, 3 hydrogen bond donors, and 10 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-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)methanimine;1-(1H-pyrrol-2-yl)-N-quinolin-8-ylmethanimine;(2,3,4,5-tetrabenzylcyclopentyl)methylbenzene is sourced from PubChem (CID 162274279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).