[2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

C230H164B4F44N8O12 — CID 159145067

About [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane

[2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (PubChem CID 159145067) has the molecular formula C230H164B4F44N8O12 and a molecular weight of 4111.05 g/mol. Its IUPAC name is [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

Molecular Properties

• Compound Name: [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• PubChem CID: 159145067
• Molecular Formula: C230H164B4F44N8O12
• Molecular Weight: 4111.05 g/mol
• Exact Mass: 4109.21
• IUPAC Name: [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane
• SMILES: FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1/C(=C1\N=C(c2ccc(-c3ccccc3)cc2)C=C1c1ccc(-c2ccccc2)cc1)c1ccccc1.FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccc(OC3CCCCC3)cc2)cc(-c2ccc(Oc3ccccc3)cc2)c1/C(=C1\N=C(c2ccc(OC3CCCCC3)cc2)C=C1c1ccc(Oc2ccccc2)cc1)c1ccccc1.FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccccc2)cc(-c2cccc3ccccc23)c1/C=C1\N=C(c2ccccc2)C=C1c1cccc2ccccc12.Fc1ccc(C2=CC(c3ccc(F)cc3)=N/C2=C(/c2ccccc2)c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1
• InChI: InChI=1S/C69H59BF10N2O6.C69H47BF10N2O2.C47H31BF10N2O2.C45H27BF14N2O2/c71-66(72,68(75,76)77)44-83-70(84-45-67(73,74)69(78,79)80)82-62(49-32-40-58(41-33-49)88-54-24-14-5-15-25-54)43-60(47-28-36-56(37-29-47)86-52-20-10-3-11-21-52)65(82)63(50-16-6-1-7-17-50)64-59(46-26-34-55(35-27-46)85-51-18-8-2-9-19-51)42-61(81-64)48-30-38-57(39-31-48)87-53-22-12-4-13-23-53;71-66(72,68(75,76)77)44-83-70(84-45-67(73,74)69(78,79)80)82-62(57-40-32-53(33-41-57)49-22-12-4-13-23-49)43-60(55-36-28-51(29-37-55)47-18-8-2-9-19-47)65(82)63(58-24-14-5-15-25-58)64-59(54-34-26-50(27-35-54)46-16-6-1-7-17-46)42-61(81-64)56-38-30-52(31-39-56)48-20-10-3-11-21-48;49-44(50,46(53,54)55)28-61-48(62-29-45(51,52)47(56,57)58)60-42(33-17-5-2-6-18-33)26-39(37-24-12-20-31-14-8-10-22-35(31)37)43(60)27-41-38(25-40(59-41)32-15-3-1-4-16-32)36-23-11-19-30-13-7-9-21-34(30)36;47-31-14-6-26(7-15-31)35-22-37(28-10-18-33(49)19-11-28)61-40(35)39(30-4-2-1-3-5-30)41-36(27-8-16-32(48)17-9-27)23-38(29-12-20-34(50)21-13-29)62(41)46(63-24-42(51,52)44(55,56)57)64-25-43(53,54)45(58,59)60/h1-3,6-11,16-21,26-43,53-54H,4-5,12-15,22-25,44-45H2;1-43H,44-45H2;1-27H,28-29H2;1-23H,24-25H2/b2*64-63-;41-27-;40-39-
• InChIKey: KIOPTVZQFFARDD-BDEKNVCVSA-N
• XLogP: 64.84
• TPSA: 179.92 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 63
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4111.05
LogP ≤ 5	64.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The IUPAC name of [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane (CID 159145067) is [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane.

What is the SMILES notation for [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The canonical SMILES for [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1/C(=C1\N=C(c2ccc(-c3ccccc3)cc2)C=C1c1ccc(-c2ccccc2)cc1)c1ccccc1.FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccc(OC3CCCCC3)cc2)cc(-c2ccc(Oc3ccccc3)cc2)c1/C(=C1\N=C(c2ccc(OC3CCCCC3)cc2)C=C1c1ccc(Oc2ccccc2)cc1)c1ccccc1.FC(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)F)n1c(-c2ccccc2)cc(-c2cccc3ccccc23)c1/C=C1\N=C(c2ccccc2)C=C1c1cccc2ccccc12.Fc1ccc(C2=CC(c3ccc(F)cc3)=N/C2=C(/c2ccccc2)c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2B(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F)cc1.

What is the InChIKey of [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

The InChIKey is KIOPTVZQFFARDD-BDEKNVCVSA-N. The full InChI is InChI=1S/C69H59BF10N2O6.C69H47BF10N2O2.C47H31BF10N2O2.C45H27BF14N2O2/c71-66(72,68(75,76)77)44-83-70(84-45-67(73,74)69(78,79)80)82-62(49-32-40-58(41-33-49)88-54-24-14-5-15-25-54)43-60(47-28-36-56(37-29-47)86-52-20-10-3-11-21-52)65(82)63(50-16-6-1-7-17-50)64-59(46-26-34-55(35-27-46)85-51-18-8-2-9-19-51)42-61(81-64)48-30-38-57(39-31-48)87-53-22-12-4-13-23-53;71-66(72,68(75,76)77)44-83-70(84-45-67(73,74)69(78,79)80)82-62(57-40-32-53(33-41-57)49-22-12-4-13-23-49)43-60(55-36-28-51(29-37-55)47-18-8-2-9-19-47)65(82)63(58-24-14-5-15-25-58)64-59(54-34-26-50(27-35-54)46-16-6-1-7-17-46)42-61(81-64)56-38-30-52(31-39-56)48-20-10-3-11-21-48;49-44(50,46(53,54)55)28-61-48(62-29-45(51,52)47(56,57)58)60-42(33-17-5-2-6-18-33)26-39(37-24-12-20-31-14-8-10-22-35(31)37)43(60)27-41-38(25-40(59-41)32-15-3-1-4-16-32)36-23-11-19-30-13-7-9-21-34(30)36;47-31-14-6-26(7-15-31)35-22-37(28-10-18-33(49)19-11-28)61-40(35)39(30-4-2-1-3-5-30)41-36(27-8-16-32(48)17-9-27)23-38(29-12-20-34(50)21-13-29)62(41)46(63-24-42(51,52)44(55,56)57)64-25-43(53,54)45(58,59)60/h1-3,6-11,16-21,26-43,53-54H,4-5,12-15,22-25,44-45H2;1-43H,44-45H2;1-27H,28-29H2;1-23H,24-25H2/b2*64-63-;41-27-;40-39-.

What are the key properties of [2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane?

[2-[(Z)-[3,5-bis(4-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane has a molecular weight of 4111.05 g/mol, XLogP of 64.84, 63 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-fluorophenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-fluorophenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[2-[(Z)-[3,5-bis(4-phenylphenyl)pyrrol-2-ylidene]-phenylmethyl]-3,5-bis(4-phenylphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[5-(4-cyclohexyloxyphenyl)-2-[(Z)-[5-(4-cyclohexyloxyphenyl)-3-(4-phenoxyphenyl)pyrrol-2-ylidene]-phenylmethyl]-3-(4-phenoxyphenyl)pyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane;[3-naphthalen-1-yl-2-[(Z)-(3-naphthalen-1-yl-5-phenylpyrrol-2-ylidene)methyl]-5-phenylpyrrol-1-yl]-bis(2,2,3,3,3-pentafluoropropoxy)borane is sourced from PubChem (CID 159145067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).