carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium

C112H129F4N5ORe2-2 — CID 162280841

About carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium

carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium (PubChem CID 162280841) has the molecular formula C112H129F4N5ORe2-2 and a molecular weight of 2009.70 g/mol. Its IUPAC name is carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium.

Molecular Properties

• Compound Name: carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium
• PubChem CID: 162280841
• Molecular Formula: C112H129F4N5ORe2-2
• Molecular Weight: 2009.70 g/mol
• Exact Mass: 2009.93
• IUPAC Name: carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium
• SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C=CC(C)(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.[CH3-].[CH3-].[Re].[Re]
• InChI: InChI=1S/C32H33FN2O.3C26H30FN.2CH3.2Re/c1-22(2)29-28(31(36)34-26-14-10-7-11-15-26)27(23-12-8-6-9-13-23)30(24-16-18-25(33)19-17-24)35(29)21-20-32(3,4)5;3*1-18(2)24-19(3)23(20-10-8-7-9-11-20)25(21-12-14-22(27)15-13-21)28(24)17-16-26(4,5)6;;;;/h6-22H,1-5H3,(H,34,36);3*7-18H,1-6H3;2*1H3;;/q;;;;2*-1
• InChIKey: WOVSFLFRWQZEGF-UHFFFAOYSA-N
• XLogP: 33.48
• TPSA: 48.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2009.70
LogP ≤ 5	33.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium?

The IUPAC name of carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium (CID 162280841) is carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium.

What is the SMILES notation for carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium?

The canonical SMILES for carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium is CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C=CC(C)(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.[CH3-].[CH3-].[Re].[Re].

What is the InChIKey of carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium?

The InChIKey is WOVSFLFRWQZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O.3C26H30FN.2CH3.2Re/c1-22(2)29-28(31(36)34-26-14-10-7-11-15-26)27(23-12-8-6-9-13-23)30(24-16-18-25(33)19-17-24)35(29)21-20-32(3,4)5;3*1-18(2)24-19(3)23(20-10-8-7-9-11-20)25(21-12-14-22(27)15-13-21)28(24)17-16-26(4,5)6;;;;/h6-22H,1-5H3,(H,34,36);3*7-18H,1-6H3;2*1H3;;/q;;;;2*-1;;.

What are the key properties of carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium?

carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium has a molecular weight of 2009.70 g/mol, XLogP of 33.48, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium is sourced from PubChem (CID 162280841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).