ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene

C90H112 — CID 160663252

IUPACethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C)c4ccccc34)c3ccccc23)c2ccccc12.Cc1c2ccccc2c(Cc2c3ccccc3c(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C40H28.C31H24.8C2H6.3CH4/c1-25-27-13-3-9-19-33(27)39(34-20-10-4-14-28(25)34)37-23-24-38(32-18-8-7-17-31(32)37)40-35-21-11-5-15-29(35)26(2)30-16-6-12-22-36(30)40;1-20-22-11-3-7-15-26(22)30(27-16-8-4-12-23(20)27)19-31-28-17-9-5-13-24(28)21(2)25-14-6-10-18-29(25)31;8*1-2;;;/h3-24H,1-2H3;3-18H,19H2,1-2H3;8*1-2H3;3*1H4
InChIKeyRLYJEIBHBSFYFJ-UHFFFAOYSA-N
MW1193.89 g/mol
LogP30.03
Rot. Bonds4

About ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene

ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene (PubChem CID 160663252) has the molecular formula C90H112 and a molecular weight of 1193.89 g/mol. Its IUPAC name is ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Nameethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene
PubChem CID160663252
Molecular FormulaC90H112
Molecular Weight1193.89 g/mol
Exact Mass1192.88
IUPAC Nameethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C)c4ccccc34)c3ccccc23)c2ccccc12.Cc1c2ccccc2c(Cc2c3ccccc3c(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C40H28.C31H24.8C2H6.3CH4/c1-25-27-13-3-9-19-33(27)39(34-20-10-4-14-28(25)34)37-23-24-38(32-18-8-7-17-31(32)37)40-35-21-11-5-15-29(35)26(2)30-16-6-12-22-36(30)40;1-20-22-11-3-7-15-26(22)30(27-16-8-4-12-23(20)27)19-31-28-17-9-5-13-24(28)21(2)25-14-6-10-18-29(25)31;8*1-2;;;/h3-24H,1-2H3;3-18H,19H2,1-2H3;8*1-2H3;3*1H4
InChIKeyRLYJEIBHBSFYFJ-UHFFFAOYSA-N
XLogP30.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.89
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene with MolForge

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Related Compounds

9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
ethane;9-methyl-10-propylanthracene
CID 144649779
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
CID 59194323
9-butyl-10-methylanthracene
CID 22754688
9-(methoxymethyl)-10-methylanthracene
CID 12579234
9-(2-fluoroethyl)-10-methylanthracene
CID 13283739
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
[3-(10-Methylanthracen-9-YL)propyl]silane
CID 78060770

Frequently Asked Questions

What is the IUPAC name of ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene?
The IUPAC name of ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene (CID 160663252) is ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene.
What is the SMILES notation for ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene?
The canonical SMILES for ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C)c4ccccc34)c3ccccc23)c2ccccc12.Cc1c2ccccc2c(Cc2c3ccccc3c(C)c3ccccc23)c2ccccc12.
What is the InChIKey of ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene?
The InChIKey is RLYJEIBHBSFYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28.C31H24.8C2H6.3CH4/c1-25-27-13-3-9-19-33(27)39(34-20-10-4-14-28(25)34)37-23-24-38(32-18-8-7-17-31(32)37)40-35-21-11-5-15-29(35)26(2)30-16-6-12-22-36(30)40;1-20-22-11-3-7-15-26(22)30(27-16-8-4-12-23(20)27)19-31-28-17-9-5-13-24(28)21(2)25-14-6-10-18-29(25)31;8*1-2;;;/h3-24H,1-2H3;3-18H,19H2,1-2H3;8*1-2H3;3*1H4.
What are the key properties of ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene?
ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene has a molecular weight of 1193.89 g/mol, XLogP of 30.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;9-methyl-10-[(10-methylanthracen-9-yl)methyl]anthracene;9-methyl-10-[4-(10-methylanthracen-9-yl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 160663252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).