dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

C185H141Br3K2N8O7 — CID 158425001

IUPACdipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
SMILESCc1c(CBr)c(C)c(CBr)c(C)c1CBr.Cc1c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c1COc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.O=CO[O-].Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.[H-].[K+].[K+]
InChIInChI=1S/C132H96N6O3.C40H28N2O.C12H15Br3.CH2O3.2K.H/c1-88-130(85-139-127-49-13-40-109(76-127)91-22-4-31-100(58-91)118-67-121(103-34-7-25-94(61-103)112-43-16-52-133-79-112)73-122(68-118)104-35-8-26-95(62-104)113-44-17-53-134-80-113)89(2)132(87-141-129-51-15-42-111(78-129)93-24-6-33-102(60-93)120-71-125(107-38-11-29-98(65-107)116-47-20-56-137-83-116)75-126(72-120)108-39-12-30-99(66-108)117-48-21-57-138-84-117)90(3)131(88)86-140-128-50-14-41-110(77-128)92-23-5-32-101(59-92)119-69-123(105-36-9-27-96(63-105)114-45-18-54-135-81-114)74-124(70-119)106-37-10-28-97(64-106)115-46-19-55-136-82-115;43-40-16-4-13-34(25-40)28-7-1-10-31(19-28)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14;2-1-4-3;;;/h4-84H,85-87H2,1-3H3;1-27,43H;4-6H2,1-3H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyXCKZQIMFXUMEEF-UHFFFAOYSA-M
MW2906.12 g/mol
LogP41.76
Rot. Bonds37

About dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene (PubChem CID 158425001) has the molecular formula C185H141Br3K2N8O7 and a molecular weight of 2906.12 g/mol. Its IUPAC name is dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene.

Molecular Properties

Compound Namedipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
PubChem CID158425001
Molecular FormulaC185H141Br3K2N8O7
Molecular Weight2906.12 g/mol
Exact Mass2900.77
IUPAC Namedipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
SMILESCc1c(CBr)c(C)c(CBr)c(C)c1CBr.Cc1c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c1COc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.O=CO[O-].Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.[H-].[K+].[K+]
InChIInChI=1S/C132H96N6O3.C40H28N2O.C12H15Br3.CH2O3.2K.H/c1-88-130(85-139-127-49-13-40-109(76-127)91-22-4-31-100(58-91)118-67-121(103-34-7-25-94(61-103)112-43-16-52-133-79-112)73-122(68-118)104-35-8-26-95(62-104)113-44-17-53-134-80-113)89(2)132(87-141-129-51-15-42-111(78-129)93-24-6-33-102(60-93)120-71-125(107-38-11-29-98(65-107)116-47-20-56-137-83-116)75-126(72-120)108-39-12-30-99(66-108)117-48-21-57-138-84-117)90(3)131(88)86-140-128-50-14-41-110(77-128)92-23-5-32-101(59-92)119-69-123(105-36-9-27-96(63-105)114-45-18-54-135-81-114)74-124(70-119)106-37-10-28-97(64-106)115-46-19-55-136-82-115;43-40-16-4-13-34(25-40)28-7-1-10-31(19-28)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14;2-1-4-3;;;/h4-84H,85-87H2,1-3H3;1-27,43H;4-6H2,1-3H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyXCKZQIMFXUMEEF-UHFFFAOYSA-M
XLogP41.76
TPSA200.40 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002906.12
LogP ≤ 541.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene?
The IUPAC name of dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene (CID 158425001) is dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene.
What is the SMILES notation for dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene?
The canonical SMILES for dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene is Cc1c(CBr)c(C)c(CBr)c(C)c1CBr.Cc1c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c(COc2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc(-c5cccc(-c6cccnc6)c5)c4)c3)c2)c(C)c1COc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.O=CO[O-].Oc1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene?
The InChIKey is XCKZQIMFXUMEEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C132H96N6O3.C40H28N2O.C12H15Br3.CH2O3.2K.H/c1-88-130(85-139-127-49-13-40-109(76-127)91-22-4-31-100(58-91)118-67-121(103-34-7-25-94(61-103)112-43-16-52-133-79-112)73-122(68-118)104-35-8-26-95(62-104)113-44-17-53-134-80-113)89(2)132(87-141-129-51-15-42-111(78-129)93-24-6-33-102(60-93)120-71-125(107-38-11-29-98(65-107)116-47-20-56-137-83-116)75-126(72-120)108-39-12-30-99(66-108)117-48-21-57-138-84-117)90(3)131(88)86-140-128-50-14-41-110(77-128)92-23-5-32-101(59-92)119-69-123(105-36-9-27-96(63-105)114-45-18-54-135-81-114)74-124(70-119)106-37-10-28-97(64-106)115-46-19-55-136-82-115;43-40-16-4-13-34(25-40)28-7-1-10-31(19-28)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14;2-1-4-3;;;/h4-84H,85-87H2,1-3H3;1-27,43H;4-6H2,1-3H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene?
dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene has a molecular weight of 2906.12 g/mol, XLogP of 41.76, 37 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene is sourced from PubChem (CID 158425001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).