ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene

C168H140 — CID 158154027

IUPACethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene
SMILESCC.CC.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)c2ccccc12.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)cc1.Cc1cccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)c1
InChIInChI=1S/C27H20.C26H20.2C24H18.C23H18.C22H18.C18H16.2C2H6/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-17-15-16-25(22-12-6-3-9-19(17)22)26-23-13-7-4-10-20(23)18(2)21-11-5-8-14-24(21)26;1-15-3-6-17(7-4-15)21-13-10-19-9-12-20-16(2)5-8-18-11-14-22(21)24(19)23(18)20;1-15-4-3-5-19(14-15)21-12-9-18-8-11-20-16(2)6-7-17-10-13-22(21)24(18)23(17)20;1-17-7-9-19(10-8-17)21-12-14-22-15-20(11-13-23(22)16-21)18-5-3-2-4-6-18;1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;2*1-2/h2-18H,1H3;3-16H,1-2H3;2*3-14H,1-2H3;2-16H,1H3;3-14H,1-2H3;3-12H,1-2H3;2*1-2H3
InChIKeyFVLSFKUDFUSGFY-UHFFFAOYSA-N
MW2158.97 g/mol
LogP48.74
Rot. Bonds9

About ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene

ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene (PubChem CID 158154027) has the molecular formula C168H140 and a molecular weight of 2158.97 g/mol. Its IUPAC name is ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene.

Molecular Properties

Compound Nameethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene
PubChem CID158154027
Molecular FormulaC168H140
Molecular Weight2158.97 g/mol
Exact Mass2157.10
IUPAC Nameethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene
SMILESCC.CC.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)c2ccccc12.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)cc1.Cc1cccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)c1
InChIInChI=1S/C27H20.C26H20.2C24H18.C23H18.C22H18.C18H16.2C2H6/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-17-15-16-25(22-12-6-3-9-19(17)22)26-23-13-7-4-10-20(23)18(2)21-11-5-8-14-24(21)26;1-15-3-6-17(7-4-15)21-13-10-19-9-12-20-16(2)5-8-18-11-14-22(21)24(19)23(18)20;1-15-4-3-5-19(14-15)21-12-9-18-8-11-20-16(2)6-7-17-10-13-22(21)24(18)23(17)20;1-17-7-9-19(10-8-17)21-12-14-22-15-20(11-13-23(22)16-21)18-5-3-2-4-6-18;1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;2*1-2/h2-18H,1H3;3-16H,1-2H3;2*3-14H,1-2H3;2-16H,1H3;3-14H,1-2H3;3-12H,1-2H3;2*1-2H3
InChIKeyFVLSFKUDFUSGFY-UHFFFAOYSA-N
XLogP48.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002158.97
LogP ≤ 548.74
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 ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene with MolForge

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Related Compounds

1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
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
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
9-phenyl-10-[4-(6-phenylnaphthalen-2-yl)naphthalen-1-yl]anthracene
CID 142699645
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene?
The IUPAC name of ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene (CID 158154027) is ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene.
What is the SMILES notation for ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene?
The canonical SMILES for ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene is CC.CC.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)c2ccccc12.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)cc1.Cc1cccc(-c2ccc3ccc4c(C)ccc5ccc2c3c54)c1.
What is the InChIKey of ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene?
The InChIKey is FVLSFKUDFUSGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C26H20.2C24H18.C23H18.C22H18.C18H16.2C2H6/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27;1-17-15-16-25(22-12-6-3-9-19(17)22)26-23-13-7-4-10-20(23)18(2)21-11-5-8-14-24(21)26;1-15-3-6-17(7-4-15)21-13-10-19-9-12-20-16(2)5-8-18-11-14-22(21)24(19)23(18)20;1-15-4-3-5-19(14-15)21-12-9-18-8-11-20-16(2)6-7-17-10-13-22(21)24(18)23(17)20;1-17-7-9-19(10-8-17)21-12-14-22-15-20(11-13-23(22)16-21)18-5-3-2-4-6-18;1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;2*1-2/h2-18H,1H3;3-16H,1-2H3;2*3-14H,1-2H3;2-16H,1H3;3-14H,1-2H3;3-12H,1-2H3;2*1-2H3.
What are the key properties of ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene?
ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene has a molecular weight of 2158.97 g/mol, XLogP of 48.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-10-(4-methylnaphthalen-1-yl)anthracene;9-methyl-10-(4-methylphenyl)anthracene;2-methyl-6-(4-methylphenyl)naphthalene;1-methyl-6-(3-methylphenyl)pyrene;1-methyl-6-(4-methylphenyl)pyrene;9-(4-methylphenyl)-10-phenylanthracene;2-(4-methylphenyl)-6-phenylnaphthalene is sourced from PubChem (CID 158154027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).