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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium

C139H162F4N6ORe4-4 — CID 162280839

IUPACcarbanide;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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C=CC(C)(C)C.Cc1c(-c2ccccc2)c(-c2cc[c-]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.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re]
InChIInChI=1S/C32H33FN2O.3C26H30FN.C26H30N.3CH3.4Re/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;1-19(2)24-20(3)23(21-13-9-7-10-14-21)25(22-15-11-8-12-16-22)27(24)18-17-26(4,5)6;;;;;;;/h6-22H,1-5H3,(H,34,36);3*7-18H,1-6H3;7,9-19H,1-6H3;3*1H3;;;;/q;;;;4*-1;;;;
InChIKeyWLDUIBGRJQCSDD-UHFFFAOYSA-N
MW2753.69 g/mol
LogP41.49
Rot. Bonds22

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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium (PubChem CID 162280839) has the molecular formula C139H162F4N6ORe4-4 and a molecular weight of 2753.69 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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium.

Molecular Properties

Compound Namecarbanide;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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium
PubChem CID162280839
Molecular FormulaC139H162F4N6ORe4-4
Molecular Weight2753.69 g/mol
Exact Mass2755.10
IUPAC Namecarbanide;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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C=CC(C)(C)C.Cc1c(-c2ccccc2)c(-c2cc[c-]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.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re]
InChIInChI=1S/C32H33FN2O.3C26H30FN.C26H30N.3CH3.4Re/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;1-19(2)24-20(3)23(21-13-9-7-10-14-21)25(22-15-11-8-12-16-22)27(24)18-17-26(4,5)6;;;;;;;/h6-22H,1-5H3,(H,34,36);3*7-18H,1-6H3;7,9-19H,1-6H3;3*1H3;;;;/q;;;;4*-1;;;;
InChIKeyWLDUIBGRJQCSDD-UHFFFAOYSA-N
XLogP41.49
TPSA53.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002753.69
LogP ≤ 541.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium with MolForge

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Related Compounds

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
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyhept-6-enoic acid
CID 90858601
5-(4-fluorophenyl)-1-(3-oxohex-5-enyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 58708288
5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
5-(4-fluorophenyl)-1-[(3S)-3-hydroxyhex-5-enyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 58708289
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-[(3R)-3,5,8,8-tetrahydroxyoctyl]pyrrole-3-carboxamide
CID 142058881
3-tert-butyl-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-2,2-dihydroxyheptanoate
CID 86643743
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 11956451
1-[(3R,4R)-4-fluoro-3-hydroxy-5-oxopentyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 102533789
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;trihydrate
CID 66713564
magnesium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate
CID 24849182

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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium (CID 162280839) 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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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(-c2cc[c-]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.Cc1c(-c2ccccc2)c(-c2ccc(F)cc2)n(C=CC(C)(C)C)c1C(C)C.[CH3-].[CH3-].[CH3-].[Re].[Re].[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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium?
The InChIKey is WLDUIBGRJQCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O.3C26H30FN.C26H30N.3CH3.4Re/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;1-19(2)24-20(3)23(21-13-9-7-10-14-21)25(22-15-11-8-12-16-22)27(24)18-17-26(4,5)6;;;;;;;/h6-22H,1-5H3,(H,34,36);3*7-18H,1-6H3;7,9-19H,1-6H3;3*1H3;;;;/q;;;;4*-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium has a molecular weight of 2753.69 g/mol, XLogP of 41.49, 22 rotatable bonds, 1 hydrogen bond donors, and 6 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);1-(3,3-dimethylbut-1-enyl)-4-methyl-3-phenyl-2-phenyl-5-propan-2-ylpyrrole;rhenium is sourced from PubChem (CID 162280839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).