bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))

C198H174N12O6Sn3 — CID 139201530

IUPACbis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))
SMILESC1CCCCC1.C1CCCCC1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].[Sn+2].[Sn+2].[Sn+2]
InChIInChI=1S/3C48H36N4.6C7H8O.2C6H12.3Sn/c3*1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;6*1-6-4-2-3-5-7(6)8;2*1-2-4-6-5-3-1;;;/h3*5-28H,1-4H3;6*2-5,8H,1H3;2*1-6H2;;;/q;;;;;;;;;;;3*+2/p-6
InChIKeyMRYZEYBBUFWLJO-UHFFFAOYSA-H
MW3173.78 g/mol
LogP37.37
Rot. Bonds12

About bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))

bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) (PubChem CID 139201530) has the molecular formula C198H174N12O6Sn3 and a molecular weight of 3173.78 g/mol. Its IUPAC name is bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)).

Molecular Properties

Compound Namebis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))
PubChem CID139201530
Molecular FormulaC198H174N12O6Sn3
Molecular Weight3173.78 g/mol
Exact Mass3175.07
IUPAC Namebis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))
SMILESC1CCCCC1.C1CCCCC1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].[Sn+2].[Sn+2].[Sn+2]
InChIInChI=1S/3C48H36N4.6C7H8O.2C6H12.3Sn/c3*1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;6*1-6-4-2-3-5-7(6)8;2*1-2-4-6-5-3-1;;;/h3*5-28H,1-4H3;6*2-5,8H,1H3;2*1-6H2;;;/q;;;;;;;;;;;3*+2/p-6
InChIKeyMRYZEYBBUFWLJO-UHFFFAOYSA-H
XLogP37.37
TPSA307.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003173.78
LogP ≤ 537.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) with MolForge

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Related Compounds

Tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139137174
meso-Tetrakis(4-pentyloxyphenyl)porphyrinato]silver(II)
CID 139072140
{meso-Tetrakis[p-(heptyloxy)phenyl]porphyrinato}silver(II)
CID 139081803
(2,3,5,6-Tetrafluorophenolato)[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato]iron(III) cyclohexane monosolvate
CID 139086077
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
CID 139117844
Hexakis(2-methylquinolin-8-olate);tris(palladium(2+))
CID 139145173
CID 139145353
CID 139145353
LNI2 (MeOH)4(MeCN)2
CID 139156848
CID 139159615
CID 139159615
Oxolane;4-[10,15,20-tris(4-hydroxyphenyl)-2,3,7,8,12,13,17,18-octakis-phenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenol;ZINC
CID 139160637
(2,3,5,6-Tetrafluorophenolato-kappaO)(5,10,15,20-tetraphenylporphyrinato)iron(III)
CID 168326298
[4-[4-[4-Bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-2,3,5,6-tetradeuteriophenyl]phenoxy]-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 59399547

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))?
The IUPAC name of bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) (CID 139201530) is bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)).
What is the SMILES notation for bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))?
The canonical SMILES for bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) is C1CCCCC1.C1CCCCC1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc([n-]3)[C+](c3ccc(C)cc3)c3ccc2[n-]3)cc1.Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].Cc1ccccc1[O-].[Sn+2].[Sn+2].[Sn+2].
What is the InChIKey of bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))?
The InChIKey is MRYZEYBBUFWLJO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C48H36N4.6C7H8O.2C6H12.3Sn/c3*1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;6*1-6-4-2-3-5-7(6)8;2*1-2-4-6-5-3-1;;;/h3*5-28H,1-4H3;6*2-5,8H,1H3;2*1-6H2;;;/q;;;;;;;;;;;3*+2/p-6.
What are the key properties of bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))?
bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) has a molecular weight of 3173.78 g/mol, XLogP of 37.37, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+)) is sourced from PubChem (CID 139201530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).