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

C190H176B4F40N8O12 — CID 158554335

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

[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 158554335) has the molecular formula C190H176B4F40N8O12 and a molecular weight of 3566.71 g/mol. Its IUPAC name is [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• PubChem CID: 158554335
• Molecular Formula: C190H176B4F40N8O12
• Molecular Weight: 3566.71 g/mol
• Exact Mass: 3565.31
• IUPAC Name: [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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(-c3ccccc3)cc(-c3ccccc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)n(B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)C=C2c2ccc(C)cc2)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3C)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(OC)cc3)n(B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)C=C2c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C49H47BF10N2O4.C49H47BF10N2O3.C47H43BF10N2O2.C45H39BF10N2O3/c1-44(2,3)34-17-9-30(10-18-34)38-25-40(32-11-19-35(20-12-32)45(4,5)6)61-41(38)27-43-39(31-13-21-36(63-7)22-14-31)26-42(33-15-23-37(64-8)24-16-33)62(43)50(65-28-46(51,52)48(55,56)57)66-29-47(53,54)49(58,59)60;1-30-9-11-31(12-10-30)38-25-40(33-13-19-35(20-14-33)44(2,3)4)61-41(38)27-43-39(32-17-23-37(63-8)24-18-32)26-42(34-15-21-36(22-16-34)45(5,6)7)62(43)50(64-28-46(51,52)48(55,56)57)65-29-47(53,54)49(58,59)60;1-42(2,3)34-21-17-31(18-22-34)36-25-38(32-19-23-35(24-20-32)43(4,5)6)59-39(36)27-41-37(30-13-9-7-10-14-30)26-40(33-15-11-8-12-16-33)60(41)48(61-28-44(49,50)46(53,54)55)62-29-45(51,52)47(56,57)58;1-26-7-11-31(12-8-26)38-21-36(34-17-9-27(2)19-29(34)4)39(57-38)23-41-37(35-18-10-28(3)20-30(35)5)22-40(32-13-15-33(59-6)16-14-32)58(41)46(60-24-42(47,48)44(51,52)53)61-25-43(49,50)45(54,55)56/h9-27H,28-29H2,1-8H3;9-27H,28-29H2,1-8H3;7-27H,28-29H2,1-6H3;7-23H,24-25H2,1-6H3/b2*41-27-;39-27-;39-23-
• InChIKey: HQCFESIZRASWIS-XGBWYBHISA-N
• XLogP: 53.71
• TPSA: 179.92 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 52
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3566.71
LogP ≤ 5	53.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 158554335) is [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-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(-c3ccccc3)cc(-c3ccccc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)n(B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)C=C2c2ccc(C)cc2)cc1.COc1ccc(-c2cc(-c3ccc(C)cc3C)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3C)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.COc1ccc(-c2cc(-c3ccc(OC)cc3)n(B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)C=C2c2ccc(C(C)(C)C)cc2)cc1.

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

The InChIKey is HQCFESIZRASWIS-XGBWYBHISA-N. The full InChI is InChI=1S/C49H47BF10N2O4.C49H47BF10N2O3.C47H43BF10N2O2.C45H39BF10N2O3/c1-44(2,3)34-17-9-30(10-18-34)38-25-40(32-11-19-35(20-12-32)45(4,5)6)61-41(38)27-43-39(31-13-21-36(63-7)22-14-31)26-42(33-15-23-37(64-8)24-16-33)62(43)50(65-28-46(51,52)48(55,56)57)66-29-47(53,54)49(58,59)60;1-30-9-11-31(12-10-30)38-25-40(33-13-19-35(20-14-33)44(2,3)4)61-41(38)27-43-39(32-17-23-37(63-8)24-18-32)26-42(34-15-21-36(22-16-34)45(5,6)7)62(43)50(64-28-46(51,52)48(55,56)57)65-29-47(53,54)49(58,59)60;1-42(2,3)34-21-17-31(18-22-34)36-25-38(32-19-23-35(24-20-32)43(4,5)6)59-39(36)27-41-37(30-13-9-7-10-14-30)26-40(33-15-11-8-12-16-33)60(41)48(61-28-44(49,50)46(53,54)55)62-29-45(51,52)47(56,57)58;1-26-7-11-31(12-8-26)38-21-36(34-17-9-27(2)19-29(34)4)39(57-38)23-41-37(35-18-10-28(3)20-30(35)5)22-40(32-13-15-33(59-6)16-14-32)58(41)46(60-24-42(47,48)44(51,52)53)61-25-43(49,50)45(54,55)56/h9-27H,28-29H2,1-8H3;9-27H,28-29H2,1-8H3;7-27H,28-29H2,1-6H3;7-23H,24-25H2,1-6H3/b2*41-27-;39-27-;39-23-.

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

[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 3566.71 g/mol, XLogP of 53.71, 52 rotatable bonds, 0 hydrogen bond donors, and 20 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-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrrol-2-ylidene]methyl]-3-(4-methoxyphenyl)pyrrol-1-yl]-bis(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]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 158554335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).