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

C159H161B3F30N6O7 — CID 157203702

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

[3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 157203702) has the molecular formula C159H161B3F30N6O7 and a molecular weight of 2870.45 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

Molecular Properties

• Compound Name: [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• PubChem CID: 157203702
• Molecular Formula: C159H161B3F30N6O7
• Molecular Weight: 2870.45 g/mol
• Exact Mass: 2869.22
• IUPAC Name: [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• SMILES: COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C(C)(C)C)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.Cc1cc(C)c(C2=CC(c3ccc(C4CCCCC4)cc3)=N/C2=C\c2c(-c3cc(C)c(C)cc3C)cc(-c3ccc(C4CCCCC4)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1C.Cc1cc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C\c2c(-c3cc(C)c(C)c(C)c3)cc(-c3ccc(C(C)(C)C)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc(C)c1C
• InChI: InChI=1S/C57H59BF10N2O2.C53H55BF10N2O2.C49H47BF10N2O3/c1-34-25-38(5)46(27-36(34)3)48-29-50(44-21-17-42(18-22-44)40-13-9-7-10-14-40)69-51(48)31-53-49(47-28-37(4)35(2)26-39(47)6)30-52(45-23-19-43(20-24-45)41-15-11-8-12-16-41)70(53)58(71-32-54(59,60)56(63,64)65)72-33-55(61,62)57(66,67)68;1-30-21-38(22-31(2)34(30)5)42-25-44(36-13-17-40(18-14-36)48(7,8)9)65-45(42)27-47-43(39-23-32(3)35(6)33(4)24-39)26-46(37-15-19-41(20-16-37)49(10,11)12)66(47)54(67-28-50(55,56)52(59,60)61)68-29-51(57,58)53(62,63)64;1-30-9-11-33(12-10-30)40-25-38(31-13-19-35(20-14-31)44(2,3)4)41(61-40)27-43-39(32-15-21-36(22-16-32)45(5,6)7)26-42(34-17-23-37(63-8)24-18-34)62(43)50(64-28-46(51,52)48(55,56)57)65-29-47(53,54)49(58,59)60/h17-31,40-41H,7-16,32-33H2,1-6H3;13-27H,28-29H2,1-12H3;9-27H,28-29H2,1-8H3/b51-31-;45-27-;41-27-
• InChIKey: ARCDTUATKCSQFC-BZEUDDEGSA-N
• XLogP: 46.34
• TPSA: 116.48 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 39
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2870.45
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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

The IUPAC name of [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 157203702) is [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

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

The canonical SMILES for [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(/C=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C(C)(C)C)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.Cc1cc(C)c(C2=CC(c3ccc(C4CCCCC4)cc3)=N/C2=C\c2c(-c3cc(C)c(C)cc3C)cc(-c3ccc(C4CCCCC4)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1C.Cc1cc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C\c2c(-c3cc(C)c(C)c(C)c3)cc(-c3ccc(C(C)(C)C)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc(C)c1C.

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

The InChIKey is ARCDTUATKCSQFC-BZEUDDEGSA-N. The full InChI is InChI=1S/C57H59BF10N2O2.C53H55BF10N2O2.C49H47BF10N2O3/c1-34-25-38(5)46(27-36(34)3)48-29-50(44-21-17-42(18-22-44)40-13-9-7-10-14-40)69-51(48)31-53-49(47-28-37(4)35(2)26-39(47)6)30-52(45-23-19-43(20-24-45)41-15-11-8-12-16-41)70(53)58(71-32-54(59,60)56(63,64)65)72-33-55(61,62)57(66,67)68;1-30-21-38(22-31(2)34(30)5)42-25-44(36-13-17-40(18-14-36)48(7,8)9)65-45(42)27-47-43(39-23-32(3)35(6)33(4)24-39)26-46(37-15-19-41(20-16-37)49(10,11)12)66(47)54(67-28-50(55,56)52(59,60)61)68-29-51(57,58)53(62,63)64;1-30-9-11-33(12-10-30)40-25-38(31-13-19-35(20-14-31)44(2,3)4)41(61-40)27-43-39(32-15-21-36(22-16-32)45(5,6)7)26-42(34-17-23-37(63-8)24-18-34)62(43)50(64-28-46(51,52)48(55,56)57)65-29-47(53,54)49(58,59)60/h17-31,40-41H,7-16,32-33H2,1-6H3;13-27H,28-29H2,1-12H3;9-27H,28-29H2,1-8H3/b51-31-;45-27-;41-27-.

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

[3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 2870.45 g/mol, XLogP of 46.34, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-tert-butylphenyl)-2-[(Z)-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-tert-butylphenyl)-2-[(Z)-[5-(4-tert-butylphenyl)-3-(3,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(3,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4,5-trimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4,5-trimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 157203702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).