[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

C235H230B4F44N8O12 — CID 158080703

IUPAC[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
SMILESCOc1cccc(C)c1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccccc2)cc(-c2ccccc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccccc2)C=C1c1ccccc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C64H65BF14N2O3.C63H67BF10N2O3.2C54H49BF10N2O3/c1-55(2,3)42-26-18-38(19-27-42)47-34-49(40-22-30-44(31-23-40)57(7,8)9)80-53(47)52(46-16-14-15-17-51(46)82-13)54-48(39-20-28-43(29-21-39)56(4,5)6)35-50(41-24-32-45(33-25-41)58(10,11)12)81(54)65(83-36-59(66,67)61(70,71)63(74,75)76)84-37-60(68,69)62(72,73)64(77,78)79;1-38-16-15-17-51(77-14)52(38)53(54-47(39-18-26-43(27-19-39)56(2,3)4)34-49(75-54)41-22-30-45(31-23-41)58(8,9)10)55-48(40-20-28-44(29-21-40)57(5,6)7)35-50(42-24-32-46(33-25-42)59(11,12)13)76(55)64(78-36-60(65,66)62(69,70)71)79-37-61(67,68)63(72,73)74;1-49(2,3)38-26-22-35(23-27-38)41-30-43(36-24-28-39(29-25-36)50(4,5)6)66-47(41)46(40-20-14-15-21-45(40)68-7)48-42(34-16-10-8-11-17-34)31-44(37-18-12-9-13-19-37)67(48)55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65;1-49(2,3)38-26-22-35(23-27-38)42-31-44(37-24-28-39(29-25-37)50(4,5)6)67(55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65)48(42)46(40-20-14-15-21-45(40)68-7)47-41(34-16-10-8-11-17-34)30-43(66-47)36-18-12-9-13-19-36/h14-35H,36-37H2,1-13H3;15-35H,36-37H2,1-14H3;2*8-31H,32-33H2,1-7H3/b53-52-;54-53-;2*47-46-
InChIKeyFMXNAPDLYUHZPL-ZTXKVOIPSA-N
MW4237.63 g/mol
LogP66.90
Rot. Bonds58

About [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 158080703) has the molecular formula C235H230B4F44N8O12 and a molecular weight of 4237.63 g/mol. Its IUPAC name is [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

Molecular Properties

Compound Name[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
PubChem CID158080703
Molecular FormulaC235H230B4F44N8O12
Molecular Weight4237.63 g/mol
Exact Mass4235.73
IUPAC Name[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
SMILESCOc1cccc(C)c1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccccc2)cc(-c2ccccc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccccc2)C=C1c1ccccc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C64H65BF14N2O3.C63H67BF10N2O3.2C54H49BF10N2O3/c1-55(2,3)42-26-18-38(19-27-42)47-34-49(40-22-30-44(31-23-40)57(7,8)9)80-53(47)52(46-16-14-15-17-51(46)82-13)54-48(39-20-28-43(29-21-39)56(4,5)6)35-50(41-24-32-45(33-25-41)58(10,11)12)81(54)65(83-36-59(66,67)61(70,71)63(74,75)76)84-37-60(68,69)62(72,73)64(77,78)79;1-38-16-15-17-51(77-14)52(38)53(54-47(39-18-26-43(27-19-39)56(2,3)4)34-49(75-54)41-22-30-45(31-23-41)58(8,9)10)55-48(40-20-28-44(29-21-40)57(5,6)7)35-50(42-24-32-46(33-25-42)59(11,12)13)76(55)64(78-36-60(65,66)62(69,70)71)79-37-61(67,68)63(72,73)74;1-49(2,3)38-26-22-35(23-27-38)41-30-43(36-24-28-39(29-25-36)50(4,5)6)66-47(41)46(40-20-14-15-21-45(40)68-7)48-42(34-16-10-8-11-17-34)31-44(37-18-12-9-13-19-37)67(48)55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65;1-49(2,3)38-26-22-35(23-27-38)42-31-44(37-24-28-39(29-25-37)50(4,5)6)67(55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65)48(42)46(40-20-14-15-21-45(40)68-7)47-41(34-16-10-8-11-17-34)30-43(66-47)36-18-12-9-13-19-36/h14-35H,36-37H2,1-13H3;15-35H,36-37H2,1-14H3;2*8-31H,32-33H2,1-7H3/b53-52-;54-53-;2*47-46-
InChIKeyFMXNAPDLYUHZPL-ZTXKVOIPSA-N
XLogP66.90
TPSA179.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds58
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004237.63
LogP ≤ 566.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-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 [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?
The IUPAC name of [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 158080703) is [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.
What is the SMILES notation for [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?
The canonical SMILES for [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is COc1cccc(C)c1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccc(C(C)(C)C)cc2)C=C1c1ccc(C(C)(C)C)cc1)c1c(-c2ccccc2)cc(-c2ccccc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.COc1ccccc1/C(=C1/N=C(c2ccccc2)C=C1c1ccccc1)c1c(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?
The InChIKey is FMXNAPDLYUHZPL-ZTXKVOIPSA-N. The full InChI is InChI=1S/C64H65BF14N2O3.C63H67BF10N2O3.2C54H49BF10N2O3/c1-55(2,3)42-26-18-38(19-27-42)47-34-49(40-22-30-44(31-23-40)57(7,8)9)80-53(47)52(46-16-14-15-17-51(46)82-13)54-48(39-20-28-43(29-21-39)56(4,5)6)35-50(41-24-32-45(33-25-41)58(10,11)12)81(54)65(83-36-59(66,67)61(70,71)63(74,75)76)84-37-60(68,69)62(72,73)64(77,78)79;1-38-16-15-17-51(77-14)52(38)53(54-47(39-18-26-43(27-19-39)56(2,3)4)34-49(75-54)41-22-30-45(31-23-41)58(8,9)10)55-48(40-20-28-44(29-21-40)57(5,6)7)35-50(42-24-32-46(33-25-42)59(11,12)13)76(55)64(78-36-60(65,66)62(69,70)71)79-37-61(67,68)63(72,73)74;1-49(2,3)38-26-22-35(23-27-38)41-30-43(36-24-28-39(29-25-36)50(4,5)6)66-47(41)46(40-20-14-15-21-45(40)68-7)48-42(34-16-10-8-11-17-34)31-44(37-18-12-9-13-19-37)67(48)55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65;1-49(2,3)38-26-22-35(23-27-38)42-31-44(37-24-28-39(29-25-37)50(4,5)6)67(55(69-32-51(56,57)53(60,61)62)70-33-52(58,59)54(63,64)65)48(42)46(40-20-14-15-21-45(40)68-7)47-41(34-16-10-8-11-17-34)30-43(66-47)36-18-12-9-13-19-36/h14-35H,36-37H2,1-13H3;15-35H,36-37H2,1-14H3;2*8-31H,32-33H2,1-7H3/b53-52-;54-53-;2*47-46-.
What are the key properties of [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?
[3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 4237.63 g/mol, XLogP of 66.90, 58 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-tert-butylphenyl)-2-[(Z)-(3,5-diphenylpyrrol-2-ylidene)-(2-methoxyphenyl)methyl]pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxy-6-methylphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-bis(4-tert-butylphenyl)pyrrol-1-yl]-bis(2,2,3,3,4,4,4-heptafluorobutoxy)borane;[2-[(Z)-[3,5-bis(4-tert-butylphenyl)pyrrol-2-ylidene]-(2-methoxyphenyl)methyl]-3,5-diphenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 158080703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).