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

C194H182B4F38N8O9 — CID 159239278

IUPAC[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
SMILESCC(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)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)cc3)C=C2c2ccc(C)cc2)cc1.Cc1ccc(C2=CC(c3ccc(C4CCCCC4)cc3)=N/C2=C\c2c(-c3ccc(C)cc3C)cc(-c3ccc(C4CCCCC4)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c(C)c1.Cc1ccc(C2=N/C(=C\c3c(-c4cccc(C)c4)cc(-c4ccc(C)cc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)C(c3cccc(C)c3)=C2)cc1
InChIInChI=1S/C55H55BF10N2O2.C53H57BF8N2O.C43H35BF10N2O4.C43H35BF10N2O2/c1-34-15-25-44(36(3)27-34)46-29-48(42-21-17-40(18-22-42)38-11-7-5-8-12-38)67-49(46)31-51-47(45-26-16-35(2)28-37(45)4)30-50(43-23-19-41(20-24-43)39-13-9-6-10-14-39)68(51)56(69-32-52(57,58)54(61,62)63)70-33-53(59,60)55(64,65)66;1-47(2,3)37-21-13-33(14-22-37)41-29-43(35-17-25-39(26-18-35)49(7,8)9)63-44(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)64(46)54(62)65-32-51(55,56)52(57,58)53(59,60)61;1-26-5-9-28(10-6-26)34-21-36(30-11-7-27(2)8-12-30)55-37(34)23-39-35(29-13-17-32(57-3)18-14-29)22-38(31-15-19-33(58-4)20-16-31)56(39)44(59-24-40(45,46)42(49,50)51)60-25-41(47,48)43(52,53)54;1-26-11-15-30(16-12-26)36-21-34(32-9-5-7-28(3)19-32)37(55-36)23-39-35(33-10-6-8-29(4)20-33)22-38(31-17-13-27(2)14-18-31)56(39)44(57-24-40(45,46)42(49,50)51)58-25-41(47,48)43(52,53)54/h15-31,38-39H,5-14,32-33H2,1-4H3;13-31H,32H2,1-12H3;5-23H,24-25H2,1-4H3;5-23H,24-25H2,1-4H3/b49-31-;44-31-;2*37-23-
InChIKeyKTWHHXIWXNHBDR-QLTPZKGHSA-N
MW3534.81 g/mol
LogP55.82
Rot. Bonds50

About [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 159239278) has the molecular formula C194H182B4F38N8O9 and a molecular weight of 3534.81 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-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
PubChem CID159239278
Molecular FormulaC194H182B4F38N8O9
Molecular Weight3534.81 g/mol
Exact Mass3533.38
IUPAC Name[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
SMILESCC(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)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)cc3)C=C2c2ccc(C)cc2)cc1.Cc1ccc(C2=CC(c3ccc(C4CCCCC4)cc3)=N/C2=C\c2c(-c3ccc(C)cc3C)cc(-c3ccc(C4CCCCC4)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c(C)c1.Cc1ccc(C2=N/C(=C\c3c(-c4cccc(C)c4)cc(-c4ccc(C)cc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)C(c3cccc(C)c3)=C2)cc1
InChIInChI=1S/C55H55BF10N2O2.C53H57BF8N2O.C43H35BF10N2O4.C43H35BF10N2O2/c1-34-15-25-44(36(3)27-34)46-29-48(42-21-17-40(18-22-42)38-11-7-5-8-12-38)67-49(46)31-51-47(45-26-16-35(2)28-37(45)4)30-50(43-23-19-41(20-24-43)39-13-9-6-10-14-39)68(51)56(69-32-52(57,58)54(61,62)63)70-33-53(59,60)55(64,65)66;1-47(2,3)37-21-13-33(14-22-37)41-29-43(35-17-25-39(26-18-35)49(7,8)9)63-44(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)64(46)54(62)65-32-51(55,56)52(57,58)53(59,60)61;1-26-5-9-28(10-6-26)34-21-36(30-11-7-27(2)8-12-30)55-37(34)23-39-35(29-13-17-32(57-3)18-14-29)22-38(31-15-19-33(58-4)20-16-31)56(39)44(59-24-40(45,46)42(49,50)51)60-25-41(47,48)43(52,53)54;1-26-11-15-30(16-12-26)36-21-34(32-9-5-7-28(3)19-32)37(55-36)23-39-35(33-10-6-8-29(4)20-33)22-38(31-17-13-27(2)14-18-31)56(39)44(57-24-40(45,46)42(49,50)51)58-25-41(47,48)43(52,53)54/h15-31,38-39H,5-14,32-33H2,1-4H3;13-31H,32H2,1-12H3;5-23H,24-25H2,1-4H3;5-23H,24-25H2,1-4H3/b49-31-;44-31-;2*37-23-
InChIKeyKTWHHXIWXNHBDR-QLTPZKGHSA-N
XLogP55.82
TPSA152.23 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds50
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003534.81
LogP ≤ 555.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane with MolForge

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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-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 159239278) is [2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)n2B(F)OCC(F)(F)C(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)cc3)C=C2c2ccc(C)cc2)cc1.Cc1ccc(C2=CC(c3ccc(C4CCCCC4)cc3)=N/C2=C\c2c(-c3ccc(C)cc3C)cc(-c3ccc(C4CCCCC4)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)c(C)c1.Cc1ccc(C2=N/C(=C\c3c(-c4cccc(C)c4)cc(-c4ccc(C)cc4)n3B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)C(c3cccc(C)c3)=C2)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-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?
The InChIKey is KTWHHXIWXNHBDR-QLTPZKGHSA-N. The full InChI is InChI=1S/C55H55BF10N2O2.C53H57BF8N2O.C43H35BF10N2O4.C43H35BF10N2O2/c1-34-15-25-44(36(3)27-34)46-29-48(42-21-17-40(18-22-42)38-11-7-5-8-12-38)67-49(46)31-51-47(45-26-16-35(2)28-37(45)4)30-50(43-23-19-41(20-24-43)39-13-9-6-10-14-39)68(51)56(69-32-52(57,58)54(61,62)63)70-33-53(59,60)55(64,65)66;1-47(2,3)37-21-13-33(14-22-37)41-29-43(35-17-25-39(26-18-35)49(7,8)9)63-44(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)64(46)54(62)65-32-51(55,56)52(57,58)53(59,60)61;1-26-5-9-28(10-6-26)34-21-36(30-11-7-27(2)8-12-30)55-37(34)23-39-35(29-13-17-32(57-3)18-14-29)22-38(31-15-19-33(58-4)20-16-31)56(39)44(59-24-40(45,46)42(49,50)51)60-25-41(47,48)43(52,53)54;1-26-11-15-30(16-12-26)36-21-34(32-9-5-7-28(3)19-32)37(55-36)23-39-35(33-10-6-8-29(4)20-33)22-38(31-17-13-27(2)14-18-31)56(39)44(57-24-40(45,46)42(49,50)51)58-25-41(47,48)43(52,53)54/h15-31,38-39H,5-14,32-33H2,1-4H3;13-31H,32H2,1-12H3;5-23H,24-25H2,1-4H3;5-23H,24-25H2,1-4H3/b49-31-;44-31-;2*37-23-.
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-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]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-tert-butylphenyl)pyrrol-1-yl]-fluoro-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 3534.81 g/mol, XLogP of 55.82, 50 rotatable bonds, 0 hydrogen bond donors, and 17 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-(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-3,5-bis(4-methoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexylphenyl)-2-[(Z)-[5-(4-cyclohexylphenyl)-3-(2,4-dimethylphenyl)pyrrol-2-ylidene]methyl]-3-(2,4-dimethylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-(3-methylphenyl)-5-(4-methylphenyl)-2-[(Z)-[3-(3-methylphenyl)-5-(4-methylphenyl)pyrrol-2-ylidene]methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 159239278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).