anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene

C217H182O7 — CID 157137388

IUPACanthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene
SMILESCCC.COC.c1ccc(Cc2ccc(-c3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1.c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C26H22.C24H18O2.2C20H18.2C18H14O2.C18H12.2C14H10.4C10H8.C3H8.C2H6O/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18;1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2/h1-18H,19-20H2;1-18H;1-13,16H,14-15H2;1-14H,15-16H2;2*1-14H;1-12H;2*1-10H;4*1-8H;3H2,1-2H3;1-2H3
InChIKeyAJTXJDJKAJKVGH-UHFFFAOYSA-N
MW2901.84 g/mol
LogP59.92
Rot. Bonds26

About anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene

anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene (PubChem CID 157137388) has the molecular formula C217H182O7 and a molecular weight of 2901.84 g/mol. Its IUPAC name is anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene.

Molecular Properties

Compound Nameanthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene
PubChem CID157137388
Molecular FormulaC217H182O7
Molecular Weight2901.84 g/mol
Exact Mass2899.39
IUPAC Nameanthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene
SMILESCCC.COC.c1ccc(Cc2ccc(-c3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1.c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C26H22.C24H18O2.2C20H18.2C18H14O2.C18H12.2C14H10.4C10H8.C3H8.C2H6O/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18;1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2/h1-18H,19-20H2;1-18H;1-13,16H,14-15H2;1-14H,15-16H2;2*1-14H;1-12H;2*1-10H;4*1-8H;3H2,1-2H3;1-2H3
InChIKeyAJTXJDJKAJKVGH-UHFFFAOYSA-N
XLogP59.92
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002901.84
LogP ≤ 559.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene with MolForge

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Related Compounds

2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
2-benzylnaphthalene
CID 11948
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
benzylbenzene;1-benzyl-3-phenylbenzene;2-(naphthalen-2-ylmethyl)naphthalene;N-naphthalen-1-ylnaphthalen-1-amine;N-phenylnaphthalen-1-amine;2-[(4-phenylphenyl)methyl]naphthalene;1-phenyl-3-[(3-phenylphenyl)methyl]benzene
CID 161127822
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
2-benzyl-10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracene;3-[4-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoranthene;2-tert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2-tert-butyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;1-[3-tert-butyl-10-(2-phenylphenyl)anthracen-9-yl]pyrene;9-(3,4-diphenylphenyl)-10-phenanthren-9-ylanthracene;10-(3,4-diphenylphenyl)-9-phenanthren-9-yl-2-phenoxyanthracene;9-[4-(3,5-diphenylphenyl)phenyl]-2-methoxy-10-naphthalen-1-ylanthracene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]fluoranthene;9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 159427762

Frequently Asked Questions

What is the IUPAC name of anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene?
The IUPAC name of anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene (CID 157137388) is anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene.
What is the SMILES notation for anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene?
The canonical SMILES for anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene is CCC.COC.c1ccc(Cc2ccc(-c3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1.c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene?
The InChIKey is AJTXJDJKAJKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22.C24H18O2.2C20H18.2C18H14O2.C18H12.2C14H10.4C10H8.C3H8.C2H6O/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18;1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2/h1-18H,19-20H2;1-18H;1-13,16H,14-15H2;1-14H,15-16H2;2*1-14H;1-12H;2*1-10H;4*1-8H;3H2,1-2H3;1-2H3.
What are the key properties of anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene?
anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene has a molecular weight of 2901.84 g/mol, XLogP of 59.92, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1-benzyl-4-(4-benzylphenyl)benzene;1,3-dibenzylbenzene;1,4-dibenzylbenzene;1,3-diphenoxybenzene;1,4-diphenoxybenzene;methoxymethane;naphthalene;phenanthrene;1-phenoxy-4-(4-phenoxyphenyl)benzene;propane;triphenylene is sourced from PubChem (CID 157137388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).