1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene

C35H40 — CID 163739903

IUPAC1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
SMILESCc1ccc(C)c(Cc2cc(Cc3cc(C)c(C)c(Cc4cc(C)ccc4C)c3)cc(C)c2C)c1
InChIInChI=1S/C35H40/c1-22-9-11-24(3)32(13-22)20-34-18-30(15-26(5)28(34)7)17-31-16-27(6)29(8)35(19-31)21-33-14-23(2)10-12-25(33)4/h9-16,18-19H,17,20-21H2,1-8H3
InChIKeyYFAAZGDYPRWPRH-UHFFFAOYSA-N
MW460.71 g/mol
LogP8.93
Rot. Bonds6

About 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene

1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene (PubChem CID 163739903) has the molecular formula C35H40 and a molecular weight of 460.71 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
PubChem CID163739903
Molecular FormulaC35H40
Molecular Weight460.71 g/mol
Exact Mass460.31
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
SMILESCc1ccc(C)c(Cc2cc(Cc3cc(C)c(C)c(Cc4cc(C)ccc4C)c3)cc(C)c2C)c1
InChIInChI=1S/C35H40/c1-22-9-11-24(3)32(13-22)20-34-18-30(15-26(5)28(34)7)17-31-16-27(6)29(8)35(19-31)21-33-14-23(2)10-12-25(33)4/h9-16,18-19H,17,20-21H2,1-8H3
InChIKeyYFAAZGDYPRWPRH-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
CID 22768598
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
CID 123489661
2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
CID 144564644
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1,3-bis[(3-chloro-4-methylphenyl)methyl]-2,5-dimethylbenzene;1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene;1,3-bis[(3,4-dimethylphenyl)methyl]-2,5-dimethylbenzene;1,5-bis[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;1,3-bis[(3,4-dimethylphenyl)methyl]-2,4,5-trimethylbenzene;1,5-bis[(3,4-dimethylphenyl)methyl]-2,3,4-trimethylbenzene;2,4-bis[(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene;2,5-dimethyl-1,3-bis[(4-methylphenyl)methyl]benzene;2,5-dimethyl-1,3-bis[(2,4,5-trimethylphenyl)methyl]benzene;1-[2,5-dimethyl-3-[(4-methylphenyl)methyl]phenyl]sulfanyl-2,5-dimethyl-3-[(4-methylphenyl)methyl]benzene;1-[[2,5-dimethyl-3-[(3,4,5-trimethylphenyl)methyl]phenyl]methyl]-2,5-dimethyl-3-[(3,4,5-trimethylphenyl)methyl]benzene;1,2,4-trimethyl-3,5-bis[(2,4,5-trimethylphenyl)methyl]benzene
CID 159851919
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
4-[(2,5-dimethylphenyl)methyl]benzoic acid
CID 116927171
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene (CID 163739903) is 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene is Cc1ccc(C)c(Cc2cc(Cc3cc(C)c(C)c(Cc4cc(C)ccc4C)c3)cc(C)c2C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene?
The InChIKey is YFAAZGDYPRWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40/c1-22-9-11-24(3)32(13-22)20-34-18-30(15-26(5)28(34)7)17-31-16-27(6)29(8)35(19-31)21-33-14-23(2)10-12-25(33)4/h9-16,18-19H,17,20-21H2,1-8H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene?
1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene has a molecular weight of 460.71 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 163739903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).