tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))

C113H127BF2I2N22Ni4O12+8 — CID 139249457

IUPACtert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))
SMILESCC1=N/C(=C(/c2ccccc2OCCCCC(=O)NCC(=O)NC2CCC(NC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)OC(C)(C)C)CC2)c2c(C)c(I)c(C)n2B(F)F)C(C)=C1I.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/C113H127BF2I2N22O12.4Ni/c1-74-104(117)76(3)131-106(74)103(107-75(2)105(118)77(4)140(107)114(115)116)94-36-8-9-37-97(94)151-51-27-18-38-98(141)127-59-100(143)132-84-39-41-85(42-40-84)133-101(144)61-130-110(148)95(56-78-52-80(62-136(66-86-28-10-19-43-119-86)67-87-29-11-20-44-120-87)108(146)81(53-78)63-137(68-88-30-12-21-45-121-88)69-89-31-13-22-46-122-89)134-102(145)60-128-99(142)58-129-111(149)96(135-112(150)152-113(5,6)7)57-79-54-82(64-138(70-90-32-14-23-47-123-90)71-91-33-15-24-48-124-91)109(147)83(55-79)65-139(72-92-34-16-25-49-125-92)73-93-35-17-26-50-126-93;;;;/h8-17,19-26,28-37,43-50,52-55,84-85,95-96,146-147H,18,27,38-42,51,56-73H2,1-7H3,(H,127,141)(H,128,142)(H,129,149)(H,130,148)(H,132,143)(H,133,144)(H,134,145)(H,135,150);;;;/q;4*+2/b106-103-;;;;/t84?,85?,95-,96-;;;;/m0..../s1
InChIKeyQZKFDLLHGBZKTA-WFYRVATCSA-N
MW2522.79 g/mol
LogP14.22
Rot. Bonds51

About tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))

tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) (PubChem CID 139249457) has the molecular formula C113H127BF2I2N22Ni4O12+8 and a molecular weight of 2522.79 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)).

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))
PubChem CID139249457
Molecular FormulaC113H127BF2I2N22Ni4O12+8
Molecular Weight2522.79 g/mol
Exact Mass2518.55
IUPAC Nametert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))
SMILESCC1=N/C(=C(/c2ccccc2OCCCCC(=O)NCC(=O)NC2CCC(NC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)OC(C)(C)C)CC2)c2c(C)c(I)c(C)n2B(F)F)C(C)=C1I.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/C113H127BF2I2N22O12.4Ni/c1-74-104(117)76(3)131-106(74)103(107-75(2)105(118)77(4)140(107)114(115)116)94-36-8-9-37-97(94)151-51-27-18-38-98(141)127-59-100(143)132-84-39-41-85(42-40-84)133-101(144)61-130-110(148)95(56-78-52-80(62-136(66-86-28-10-19-43-119-86)67-87-29-11-20-44-120-87)108(146)81(53-78)63-137(68-88-30-12-21-45-121-88)69-89-31-13-22-46-122-89)134-102(145)60-128-99(142)58-129-111(149)96(135-112(150)152-113(5,6)7)57-79-54-82(64-138(70-90-32-14-23-47-123-90)71-91-33-15-24-48-124-91)109(147)83(55-79)65-139(72-92-34-16-25-49-125-92)73-93-35-17-26-50-126-93;;;;/h8-17,19-26,28-37,43-50,52-55,84-85,95-96,146-147H,18,27,38-42,51,56-73H2,1-7H3,(H,127,141)(H,128,142)(H,129,149)(H,130,148)(H,132,143)(H,133,144)(H,134,145)(H,135,150);;;;/q;4*+2/b106-103-;;;;/t84?,85?,95-,96-;;;;/m0..../s1
InChIKeyQZKFDLLHGBZKTA-WFYRVATCSA-N
XLogP14.22
TPSA425.09 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds51
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.79
LogP ≤ 514.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 139212377
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxy-3-oxopropyl]amino]-3-oxopropyl]amino]-4-oxobutanoic acid;4-[(2S)-2-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-oxidophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;tetrakis(nickel(2+));hexachloride
CID 139212376
4-[(2S)-2-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-oxidophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;tetrakis(nickel(2+));hexachloride
CID 139249456
tert-butyl N-[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[4-[(2-azidoacetyl)amino]cyclohexyl]amino]-2-oxoethyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-oxopropan-2-yl]carbamate
CID 139249462
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 161058943
13-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]-1-(3,3-dimethylbutoxy)tridecane-4,8-dione;methane;bis(methyl 3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-[[5-[2-(3,3-dimethylbutoxy)ethylamino]-5-oxopentanoyl]amino]propanoate)
CID 167570514
Hexazinc;13-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]-1-(3,3-dimethylbutoxy)tridecane-4,8-dione;methane;bis(methyl 3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2-[[5-[2-(3,3-dimethylbutoxy)ethylamino]-5-oxopentanoyl]amino]propanoate)
CID 167689850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))?
The IUPAC name of tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) (CID 139249457) is tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)).
What is the SMILES notation for tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))?
The canonical SMILES for tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) is CC1=N/C(=C(/c2ccccc2OCCCCC(=O)NCC(=O)NC2CCC(NC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3cc(CN(Cc4ccccn4)Cc4ccccn4)c(O)c(CN(Cc4ccccn4)Cc4ccccn4)c3)NC(=O)OC(C)(C)C)CC2)c2c(C)c(I)c(C)n2B(F)F)C(C)=C1I.[Ni+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))?
The InChIKey is QZKFDLLHGBZKTA-WFYRVATCSA-N. The full InChI is InChI=1S/C113H127BF2I2N22O12.4Ni/c1-74-104(117)76(3)131-106(74)103(107-75(2)105(118)77(4)140(107)114(115)116)94-36-8-9-37-97(94)151-51-27-18-38-98(141)127-59-100(143)132-84-39-41-85(42-40-84)133-101(144)61-130-110(148)95(56-78-52-80(62-136(66-86-28-10-19-43-119-86)67-87-29-11-20-44-120-87)108(146)81(53-78)63-137(68-88-30-12-21-45-121-88)69-89-31-13-22-46-122-89)134-102(145)60-128-99(142)58-129-111(149)96(135-112(150)152-113(5,6)7)57-79-54-82(64-138(70-90-32-14-23-47-123-90)71-91-33-15-24-48-124-91)109(147)83(55-79)65-139(72-92-34-16-25-49-125-92)73-93-35-17-26-50-126-93;;;;/h8-17,19-26,28-37,43-50,52-55,84-85,95-96,146-147H,18,27,38-42,51,56-73H2,1-7H3,(H,127,141)(H,128,142)(H,129,149)(H,130,148)(H,132,143)(H,133,144)(H,134,145)(H,135,150);;;;/q;4*+2/b106-103-;;;;/t84?,85?,95-,96-;;;;/m0..../s1.
What are the key properties of tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))?
tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) has a molecular weight of 2522.79 g/mol, XLogP of 14.22, 51 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+)) is sourced from PubChem (CID 139249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).