[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

C186H164B4F32N8O8 — CID 158612988

About [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 158612988) has the molecular formula C186H164B4F32N8O8 and a molecular weight of 3290.59 g/mol. Its IUPAC name is [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

Molecular Properties

• Compound Name: [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• PubChem CID: 158612988
• Molecular Formula: C186H164B4F32N8O8
• Molecular Weight: 3290.59 g/mol
• Exact Mass: 3289.25
• IUPAC Name: [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• SMILES: CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C\c2c(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)n2B(F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C(=C3\N=C(c4ccc(C)cc4)c4ccccc43)c3ccccc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3C)n2B(F)OCC(F)(F)C(F)(F)F)cc1.Cc1ccc(C2=N/C(=C(/c3ccccc3C)c3c(-c4ccccc4)cc(-c4ccccc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c3ccccc32)cc1
• InChI: InChI=1S/C52H57BF6N2O.C47H37BF10N2O3.C45H33BF10N2O2.C42H37BF6N2O2/c1-47(2,3)37-21-13-33(14-22-37)41-29-43(35-17-25-39(26-18-35)49(7,8)9)60-44(41)31-46-42(34-15-23-38(24-16-34)48(4,5)6)30-45(36-19-27-40(28-20-36)50(10,11)12)61(46)53(59)62-32-51(54,55)52(56,57)58;1-28-14-17-33(18-15-28)41-36-12-8-9-13-37(36)42(59-41)40(32-10-6-5-7-11-32)43-38(35-23-16-29(2)24-30(35)3)25-39(31-19-21-34(61-4)22-20-31)60(43)48(62-26-44(49,50)46(53,54)55)63-27-45(51,52)47(56,57)58;1-28-21-23-32(24-22-28)39-34-19-11-12-20-35(34)40(57-39)38(33-18-10-9-13-29(33)2)41-36(30-14-5-3-6-15-30)25-37(31-16-7-4-8-17-31)58(41)46(59-26-42(47,48)44(51,52)53)60-27-43(49,50)45(54,55)56;1-25-7-11-30(12-8-25)37-21-35(33-17-9-26(2)19-28(33)4)38(50-37)23-40-36(34-18-10-27(3)20-29(34)5)22-39(31-13-15-32(52-6)16-14-31)51(40)43(49)53-24-41(44,45)42(46,47)48/h13-31H,32H2,1-12H3;5-25H,26-27H2,1-4H3;3-25H,26-27H2,1-2H3;7-23H,24H2,1-6H3/b44-31-;42-40-;40-38-;38-23-
• InChIKey: HXBGIEFQAUEQEG-LTGLYMKTSA-N
• XLogP: 51.53
• TPSA: 143.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3290.59
LogP ≤ 5	51.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The IUPAC name of [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 158612988) is [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

What is the SMILES notation for [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The canonical SMILES for [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C\c2c(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)n2B(F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C(=C3\N=C(c4ccc(C)cc4)c4ccccc43)c3ccccc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3C)n2B(F)OCC(F)(F)C(F)(F)F)cc1.Cc1ccc(C2=N/C(=C(/c3ccccc3C)c3c(-c4ccccc4)cc(-c4ccccc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c3ccccc32)cc1.

What is the InChIKey of [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The InChIKey is HXBGIEFQAUEQEG-LTGLYMKTSA-N. The full InChI is InChI=1S/C52H57BF6N2O.C47H37BF10N2O3.C45H33BF10N2O2.C42H37BF6N2O2/c1-47(2,3)37-21-13-33(14-22-37)41-29-43(35-17-25-39(26-18-35)49(7,8)9)60-44(41)31-46-42(34-15-23-38(24-16-34)48(4,5)6)30-45(36-19-27-40(28-20-36)50(10,11)12)61(46)53(59)62-32-51(54,55)52(56,57)58;1-28-14-17-33(18-15-28)41-36-12-8-9-13-37(36)42(59-41)40(32-10-6-5-7-11-32)43-38(35-23-16-29(2)24-30(35)3)25-39(31-19-21-34(61-4)22-20-31)60(43)48(62-26-44(49,50)46(53,54)55)63-27-45(51,52)47(56,57)58;1-28-21-23-32(24-22-28)39-34-19-11-12-20-35(34)40(57-39)38(33-18-10-9-13-29(33)2)41-36(30-14-5-3-6-15-30)25-37(31-16-7-4-8-17-31)58(41)46(59-26-42(47,48)44(51,52)53)60-27-43(49,50)45(54,55)56;1-25-7-11-30(12-8-25)37-21-35(33-17-9-26(2)19-28(33)4)38(50-37)23-40-36(34-18-10-27(3)20-29(34)5)22-39(31-13-15-32(52-6)16-14-31)51(40)43(49)53-24-41(44,45)42(46,47)48/h13-31H,32H2,1-12H3;5-25H,26-27H2,1-4H3;3-25H,26-27H2,1-2H3;7-23H,24H2,1-6H3/b44-31-;42-40-;40-38-;38-23-.

What are the key properties of [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 3290.59 g/mol, XLogP of 51.53, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-2-[(Z)-[3-(2,4-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,3-pentafluoropropoxy)borane;[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-[(Z)-[3-(4-methylphenyl)isoindol-1-ylidene]-phenylmethyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-(2-methylphenyl)-[3-(4-methylphenyl)isoindol-1-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 158612988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).