methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene

C173H142 — CID 158779921

IUPACmethane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene
SMILESC.C.C.Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1cc(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43.[2H]c1c([2H])c([2H])c(-c2ccc(C)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/2C27H20.2C25H18.C25H20.C21H14.C13H12.C7H8.3CH4/c1-19-16-22(26-14-6-10-20-8-2-4-12-24(20)26)18-23(17-19)27-15-7-11-21-9-3-5-13-25(21)27;1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-17-21-10-4-6-12-23(21)25(24-13-7-5-11-22(17)24)20-15-14-18-8-2-3-9-19(18)16-20;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;;;/h2*2-18H,1H3;2*2-16H,1H3;2-18H,1H3;2-12H,1H3;2-10H,1H3;2-6H,1H3;3*1H4/i;;;;;;2*2D,3D,4D,5D,6D;;;
InChIKeyIQYDJKZFWSUNJL-UYXPWBQKSA-N
MW2231.10 g/mol
LogP50.12
Rot. Bonds10

About methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene

methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene (PubChem CID 158779921) has the molecular formula C173H142 and a molecular weight of 2231.10 g/mol. Its IUPAC name is methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene.

Molecular Properties

Compound Namemethane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene
PubChem CID158779921
Molecular FormulaC173H142
Molecular Weight2231.10 g/mol
Exact Mass2229.17
IUPAC Namemethane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene
SMILESC.C.C.Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1cc(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43.[2H]c1c([2H])c([2H])c(-c2ccc(C)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/2C27H20.2C25H18.C25H20.C21H14.C13H12.C7H8.3CH4/c1-19-16-22(26-14-6-10-20-8-2-4-12-24(20)26)18-23(17-19)27-15-7-11-21-9-3-5-13-25(21)27;1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-17-21-10-4-6-12-23(21)25(24-13-7-5-11-22(17)24)20-15-14-18-8-2-3-9-19(18)16-20;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;;;/h2*2-18H,1H3;2*2-16H,1H3;2-18H,1H3;2-12H,1H3;2-10H,1H3;2-6H,1H3;3*1H4/i;;;;;;2*2D,3D,4D,5D,6D;;;
InChIKeyIQYDJKZFWSUNJL-UYXPWBQKSA-N
XLogP50.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002231.10
LogP ≤ 550.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene with MolForge

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Related Compounds

9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 163814525
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 159008970
9-methyl-10-phenylanthracene;1-[3-(3-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;1-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;2-[3-(3-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene
CID 158361137
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 162156061
9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene
CID 158982412
9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 160579417
9-naphthalen-2-yl-2,6-diphenyl-10-(6-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 167632885
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
9-(3,5-diphenylphenyl)-10-[10-(3,5-diphenylphenyl)anthracen-9-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 158975845
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;1-[10-(2-phenylphenyl)anthracen-9-yl]pyrene;1,2,3,4-tetradeuterio-9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 159025399
9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
CID 140620857
9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[3-(3,5-dimethylphenyl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;5-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;9-(2-naphthalen-2-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
CID 158711637

Frequently Asked Questions

What is the IUPAC name of methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene?
The IUPAC name of methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene (CID 158779921) is methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene.
What is the SMILES notation for methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene?
The canonical SMILES for methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene is C.C.C.Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1cc(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1ccc2c3cccc4cccc(c5cccc1c52)c43.[2H]c1c([2H])c([2H])c(-c2ccc(C)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H].
What is the InChIKey of methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene?
The InChIKey is IQYDJKZFWSUNJL-UYXPWBQKSA-N. The full InChI is InChI=1S/2C27H20.2C25H18.C25H20.C21H14.C13H12.C7H8.3CH4/c1-19-16-22(26-14-6-10-20-8-2-4-12-24(20)26)18-23(17-19)27-15-7-11-21-9-3-5-13-25(21)27;1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-17-21-10-4-6-12-23(21)25(24-13-7-5-11-22(17)24)20-15-14-18-8-2-3-9-19(18)16-20;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-11-12-19-17-9-3-6-14-5-2-8-16(20(14)17)18-10-4-7-15(13)21(18)19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;;;/h2*2-18H,1H3;2*2-16H,1H3;2-18H,1H3;2-12H,1H3;2-10H,1H3;2-6H,1H3;3*1H4/i;;;;;;2*2D,3D,4D,5D,6D;;;.
What are the key properties of methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene?
methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene has a molecular weight of 2231.10 g/mol, XLogP of 50.12, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-naphthalen-2-ylanthracene;1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene;3-methylperylene;1-(4-methylphenyl)-3,5-diphenylbenzene;9-methyl-10-(4-phenylphenyl)anthracene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3,4,5-pentadeuterio-6-(4-methylphenyl)benzene is sourced from PubChem (CID 158779921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).