pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene

C158H248O15 — CID 158654740

IUPACpentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(c2ccccc2)CCCC(C)(c2ccccc2)C1.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C25H20.C24H32.C22H24.C22H28.C20H24.5C3H6O3.15C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-19(17-10-5-3-6-11-17)14-9-15-20(2,16-19)18-12-7-4-8-13-18;5*1-5-3(4)6-2;15*1-2/h1-20H;8-13,16-19H,1-7,14-15,20-21H2;1-6,8-11,16,19-21H,7,12-15H2;6-11,14-17H,1-5,12-13,18-19H2;3-8,10-13H,9,14-16H2,1-2H3;5*1-2H3;15*1-2H3
InChIKeyIBZKOMMGYMIUTG-UHFFFAOYSA-N
MW2387.71 g/mol
LogP48.14
Rot. Bonds12

About pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene

pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene (PubChem CID 158654740) has the molecular formula C158H248O15 and a molecular weight of 2387.71 g/mol. Its IUPAC name is pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene.

Molecular Properties

Compound Namepentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
PubChem CID158654740
Molecular FormulaC158H248O15
Molecular Weight2387.71 g/mol
Exact Mass2385.86
IUPAC Namepentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(c2ccccc2)CCCC(C)(c2ccccc2)C1.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1
InChIInChI=1S/C25H20.C24H32.C22H24.C22H28.C20H24.5C3H6O3.15C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-19(17-10-5-3-6-11-17)14-9-15-20(2,16-19)18-12-7-4-8-13-18;5*1-5-3(4)6-2;15*1-2/h1-20H;8-13,16-19H,1-7,14-15,20-21H2;1-6,8-11,16,19-21H,7,12-15H2;6-11,14-17H,1-5,12-13,18-19H2;3-8,10-13H,9,14-16H2,1-2H3;5*1-2H3;15*1-2H3
InChIKeyIBZKOMMGYMIUTG-UHFFFAOYSA-N
XLogP48.14
TPSA177.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002387.71
LogP ≤ 548.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene with MolForge

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Related Compounds

8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene
CID 161072697
4-[8-(4-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;phenol
CID 23227246
2-[8-(2-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 19877938
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
1,1-diphenylcyclotetradecane
CID 175822005
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
phenyl 3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-4-(trifluoromethoxy)benzoate
CID 177111843
methane;(1-methylcyclopentyl)benzene
CID 143499824
4-[3,3-dimethyl-1-(4-methylphenyl)-2H-inden-1-yl]phenol;4-[2-(4-methylphenyl)-2-adamantyl]phenol;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;4-[1-(4-methylphenyl)-1-phenylethyl]phenol;4-[8-(4-methylphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol;1,1,1',1',5-pentamethyl-3,3'-spirobi[2H-indene]-5'-ol
CID 161375785
dimethyl (1R,5R,6R)-1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-6-phenylbicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 135007170
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 155725158
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969

Frequently Asked Questions

What is the IUPAC name of pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The IUPAC name of pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene (CID 158654740) is pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene.
What is the SMILES notation for pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The canonical SMILES for pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(c2ccccc2)CCCC(C)(c2ccccc2)C1.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.COC(=O)OC.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CC3CC2C2CCCC32)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCCCCCCCC2)cc1.
What is the InChIKey of pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
The InChIKey is IBZKOMMGYMIUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.C24H32.C22H24.C22H28.C20H24.5C3H6O3.15C2H6/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-14-20-24(21-15-7-5-3-1,22-16-10-8-11-17-22)23-18-12-9-13-19-23;1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)15-16-14-21(22)20-13-7-12-19(16)20;1-2-4-12-18-22(19-13-5-3-1,20-14-8-6-9-15-20)21-16-10-7-11-17-21;1-19(17-10-5-3-6-11-17)14-9-15-20(2,16-19)18-12-7-4-8-13-18;5*1-5-3(4)6-2;15*1-2/h1-20H;8-13,16-19H,1-7,14-15,20-21H2;1-6,8-11,16,19-21H,7,12-15H2;6-11,14-17H,1-5,12-13,18-19H2;3-8,10-13H,9,14-16H2,1-2H3;5*1-2H3;15*1-2H3.
What are the key properties of pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene?
pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene has a molecular weight of 2387.71 g/mol, XLogP of 48.14, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(dimethyl carbonate);(1,3-dimethyl-3-phenylcyclohexyl)benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;8,8-diphenyltricyclo[5.2.1.02,6]decane;ethane;tritylbenzene is sourced from PubChem (CID 158654740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).