iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

C139H132F6Fe3N6O — CID 162274740

IUPACiron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESCC(C)c1ccccc1/N=C/c1cc2c([nH]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccccc1-c1ccccc1/N=C/c1ccc[nH]1.Cc1c(/C=N/c2ccccc2)[nH]c2ccccc12.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C35H30.C18H16N2O.C18H22N2.C17H20F6.C16H14N2.3Fe/c2*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;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-12-14-9-5-6-10-15(14)18-16(12)11-17-13-7-3-2-4-8-13;;;/h2*1-25,31-35H;2-13,19H,1H3;4,6,8,10-13,20H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;2-11,18H,1H3;;;/b;;20-13+;19-12+;;17-11+;;;
InChIKeyYQPSOIUIFFLVIQ-NVYIMJLXSA-N
MW2184.15 g/mol
LogP37.63
Rot. Bonds20

About iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (PubChem CID 162274740) has the molecular formula C139H132F6Fe3N6O and a molecular weight of 2184.15 g/mol. Its IUPAC name is iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).

Molecular Properties

Compound Nameiron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
PubChem CID162274740
Molecular FormulaC139H132F6Fe3N6O
Molecular Weight2184.15 g/mol
Exact Mass2182.84
IUPAC Nameiron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESCC(C)c1ccccc1/N=C/c1cc2c([nH]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccccc1-c1ccccc1/N=C/c1ccc[nH]1.Cc1c(/C=N/c2ccccc2)[nH]c2ccccc12.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C35H30.C18H16N2O.C18H22N2.C17H20F6.C16H14N2.3Fe/c2*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;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-12-14-9-5-6-10-15(14)18-16(12)11-17-13-7-3-2-4-8-13;;;/h2*1-25,31-35H;2-13,19H,1H3;4,6,8,10-13,20H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;2-11,18H,1H3;;;/b;;20-13+;19-12+;;17-11+;;;
InChIKeyYQPSOIUIFFLVIQ-NVYIMJLXSA-N
XLogP37.63
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002184.15
LogP ≤ 537.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) with MolForge

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Related Compounds

DIM-C-pPhOCH3
CID 11371604
3-[(5-fluoro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 145952921
stereoisomer of NSC 674066-O
CID 384359
3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326686
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
1-(4-fluorophenyl)-3-[1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methyl]-9H-pyrido[3,4-b]indole
CID 145954384
3-[bis(1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 145954919
5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole
CID 156785964
3-[1H-indol-3-yl-(2-methoxyphenyl)methyl]-1H-indole
CID 2940509
3-(5-methoxy-1H-indol-3-yl)-N-[[3-[[[3-(5-methoxy-1H-indol-3-yl)norbornan-2-yl]amino]methyl]phenyl]methyl]norbornan-2-amine
CID 500241

Frequently Asked Questions

What is the IUPAC name of iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The IUPAC name of iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (CID 162274740) is iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).
What is the SMILES notation for iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The canonical SMILES for iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is CC(C)c1ccccc1/N=C/c1cc2c([nH]1)CCCC2.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.COc1ccccc1-c1ccccc1/N=C/c1ccc[nH]1.Cc1c(/C=N/c2ccccc2)[nH]c2ccccc12.[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The InChIKey is YQPSOIUIFFLVIQ-NVYIMJLXSA-N. The full InChI is InChI=1S/2C35H30.C18H16N2O.C18H22N2.C17H20F6.C16H14N2.3Fe/c2*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;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-13(2)16-8-4-6-10-18(16)19-12-15-11-14-7-3-5-9-17(14)20-15;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-12-14-9-5-6-10-15(14)18-16(12)11-17-13-7-3-2-4-8-13;;;/h2*1-25,31-35H;2-13,19H,1H3;4,6,8,10-13,20H,3,5,7,9H2,1-2H3;5-11,15H,1-4H3;2-11,18H,1H3;;;/b;;20-13+;19-12+;;17-11+;;;.
What are the key properties of iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) has a molecular weight of 2184.15 g/mol, XLogP of 37.63, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanimine;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is sourced from PubChem (CID 162274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).