N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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)

C196H206F6Fe5N10O — CID 162272690

About N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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)

N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 162272690) has the molecular formula C196H206F6Fe5N10O and a molecular weight of 3111.09 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 Name: N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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: 162272690
• Molecular Formula: C196H206F6Fe5N10O
• Molecular Weight: 3111.09 g/mol
• Exact Mass: 3109.30
• IUPAC Name: N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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)
• SMILES: C/C(=N\c1ccccc1C(C)C)c1ccc[nH]1.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.CC1C2C=CC=CC2C2C=CC=CC12.CC1C2CCCCC2C2CCCCC12.CCc1ccccc1/N=C(\C)c1ccc[nH]1.COc1ccccc1-c1ccccc1/N=C/c1ccc[nH]1.Cc1c(/C=N/c2ccccc2)[nH]c2ccccc12.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
• InChI: InChI=1S/2C35H30.C18H16N2O.C18H22N2.C17H20F6.C16H14N2.C15H18N2.C14H16N2.C14H24.C14H16.5Fe/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;1-11(2)13-7-4-5-8-15(13)17-12(3)14-9-6-10-16-14;1-3-12-7-4-5-8-14(12)16-11(2)13-9-6-10-15-13;2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;;;;;/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;4-11,16H,1-3H3;4-10,15H,3H2,1-2H3;10-14H,2-9H2,1H3;2-14H,1H3;;;;;/b;;20-13+;19-12+;;17-11+;17-12+;16-11+
• InChIKey: GQAFJYYKBKKYTQ-VQYGUWCNSA-N
• XLogP: 53.23
• TPSA: 149.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3111.09
LogP ≤ 5	53.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 162272690) is N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 C/C(=N\c1ccccc1C(C)C)c1ccc[nH]1.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.CC1C2C=CC=CC2C2C=CC=CC12.CC1C2CCCCC2C2CCCCC12.CCc1ccccc1/N=C(\C)c1ccc[nH]1.COc1ccccc1-c1ccccc1/N=C/c1ccc[nH]1.Cc1c(/C=N/c2ccccc2)[nH]c2ccccc12.[Fe].[Fe].[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 N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 GQAFJYYKBKKYTQ-VQYGUWCNSA-N. The full InChI is InChI=1S/2C35H30.C18H16N2O.C18H22N2.C17H20F6.C16H14N2.C15H18N2.C14H16N2.C14H24.C14H16.5Fe/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;1-11(2)13-7-4-5-8-15(13)17-12(3)14-9-6-10-16-14;1-3-12-7-4-5-8-14(12)16-11(2)13-9-6-10-15-13;2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;;;;;/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;4-11,16H,1-3H3;4-10,15H,3H2,1-2H3;10-14H,2-9H2,1H3;2-14H,1H3;;;;;/b;;20-13+;19-12+;;17-11+;17-12+;16-11+;;;;;;;.

What are the key properties of N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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)?

N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 3111.09 g/mol, XLogP of 53.23, 26 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-(1H-pyrrol-2-yl)methanimine;9-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-(3-methyl-1H-indol-2-yl)-N-phenylmethanimine;N-(2-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanimine;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 162272690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).