9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene

C67H76 — CID 163394703

IUPAC9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene
SMILESCC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1.Cc1ccc(Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C38H36.C17H20.C10H14.C2H6/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29;1-12-5-7-16(8-6-12)11-17-14(3)9-13(2)10-15(17)4;1-7-5-8(2)10(4)9(3)6-7;1-2/h5-22,35,38H,23-24H2,1-4H3;5-10H,11H2,1-4H3;5-6H,1-4H3;1-2H3
InChIKeyHNLDQJAIMYGFSJ-UHFFFAOYSA-N
MW881.34 g/mol
LogP17.84
Rot. Bonds7

About 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene

9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene (PubChem CID 163394703) has the molecular formula C67H76 and a molecular weight of 881.34 g/mol. Its IUPAC name is 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene
PubChem CID163394703
Molecular FormulaC67H76
Molecular Weight881.34 g/mol
Exact Mass880.59
IUPAC Name9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene
SMILESCC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1.Cc1ccc(Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C38H36.C17H20.C10H14.C2H6/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29;1-12-5-7-16(8-6-12)11-17-14(3)9-13(2)10-15(17)4;1-7-5-8(2)10(4)9(3)6-7;1-2/h5-22,35,38H,23-24H2,1-4H3;5-10H,11H2,1-4H3;5-6H,1-4H3;1-2H3
InChIKeyHNLDQJAIMYGFSJ-UHFFFAOYSA-N
XLogP17.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.34
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene (CID 163394703) is 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene is CC.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1.Cc1ccc(Cc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene?
The InChIKey is HNLDQJAIMYGFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36.C17H20.C10H14.C2H6/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29;1-12-5-7-16(8-6-12)11-17-14(3)9-13(2)10-15(17)4;1-7-5-8(2)10(4)9(3)6-7;1-2/h5-22,35,38H,23-24H2,1-4H3;5-10H,11H2,1-4H3;5-6H,1-4H3;1-2H3.
What are the key properties of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene?
9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene has a molecular weight of 881.34 g/mol, XLogP of 17.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene;ethane;1,2,3,5-tetramethylbenzene;1,3,5-trimethyl-2-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 163394703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).