1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

C118H160Fe4N4O2 — CID 162279183

IUPAC1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(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.CC1C(C)C(c2ccccc2)C(C(C)(C)Cc2ccc[nH]2)C1C.CC1C(C)C2C=CC=CC2C1C.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.[Fe].[Fe].[Fe].[Fe].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C55H70.C22H31N.C17H26O2.C12H18.3C4H5N.4Fe/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;1-15-16(2)20(18-10-7-6-8-11-18)21(17(15)3)22(4,5)14-19-12-9-13-23-19;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-8-9(2)11-6-4-5-7-12(11)10(8)3;3*1-2-4-5-3-1;;;;/h16-35,46-50H,1-15H3;6-13,15-17,20-21,23H,14H2,1-5H3;7-13,17H,1-6H3;4-12H,1-3H3;3*1-5H;;;;
InChIKeyDJVVILZLTMCXDF-UHFFFAOYSA-N
MW1889.98 g/mol
LogP31.96
Rot. Bonds12

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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 162279183) has the molecular formula C118H160Fe4N4O2 and a molecular weight of 1889.98 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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.

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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID162279183
Molecular FormulaC118H160Fe4N4O2
Molecular Weight1889.98 g/mol
Exact Mass1888.99
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(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.CC1C(C)C(c2ccccc2)C(C(C)(C)Cc2ccc[nH]2)C1C.CC1C(C)C2C=CC=CC2C1C.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.[Fe].[Fe].[Fe].[Fe].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C55H70.C22H31N.C17H26O2.C12H18.3C4H5N.4Fe/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;1-15-16(2)20(18-10-7-6-8-11-18)21(17(15)3)22(4,5)14-19-12-9-13-23-19;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-8-9(2)11-6-4-5-7-12(11)10(8)3;3*1-2-4-5-3-1;;;;/h16-35,46-50H,1-15H3;6-13,15-17,20-21,23H,14H2,1-5H3;7-13,17H,1-6H3;4-12H,1-3H3;3*1-5H;;;;
InChIKeyDJVVILZLTMCXDF-UHFFFAOYSA-N
XLogP31.96
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001889.98
LogP ≤ 531.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 162279183) 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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is 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.CC1C(C)C(c2ccccc2)C(C(C)(C)Cc2ccc[nH]2)C1C.CC1C(C)C2C=CC=CC2C1C.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.[Fe].[Fe].[Fe].[Fe].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is DJVVILZLTMCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H70.C22H31N.C17H26O2.C12H18.3C4H5N.4Fe/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;1-15-16(2)20(18-10-7-6-8-11-18)21(17(15)3)22(4,5)14-19-12-9-13-23-19;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-8-9(2)11-6-4-5-7-12(11)10(8)3;3*1-2-4-5-3-1;;;;/h16-35,46-50H,1-15H3;6-13,15-17,20-21,23H,14H2,1-5H3;7-13,17H,1-6H3;4-12H,1-3H3;3*1-5H;;;;.
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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?
1-tert-butyl-4-[2,3,4,5-tetrakis(4-tert-butylphenyl)cyclopentyl]benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 1889.98 g/mol, XLogP of 31.96, 12 rotatable bonds, 4 hydrogen bond donors, and 2 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;iron;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;tris(1H-pyrrole);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 162279183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).