[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene

C34H38 — CID 119080873

IUPAC[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
SMILESCCCC(CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38/c1-2-15-32(29-18-9-4-10-19-29)26-34(31-22-13-6-14-23-31)27-33(30-20-11-5-12-21-30)25-24-28-16-7-3-8-17-28/h3-14,16-23,32-34H,2,15,24-27H2,1H3
InChIKeyDHRJESMNJONAPF-UHFFFAOYSA-N
MW446.68 g/mol
LogP9.55
Rot. Bonds12

About [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene

[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene (PubChem CID 119080873) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene.

Molecular Properties

Compound Name[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
PubChem CID119080873
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
SMILESCCCC(CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38/c1-2-15-32(29-18-9-4-10-19-29)26-34(31-22-13-6-14-23-31)27-33(30-20-11-5-12-21-30)25-24-28-16-7-3-8-17-28/h3-14,16-23,32-34H,2,15,24-27H2,1H3
InChIKeyDHRJESMNJONAPF-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diphenylhexan-3-ylbenzene
CID 57087261
4,6-diphenylnonane-1,1-diol
CID 162161241
2-fluoroheptan-4-ylbenzene
CID 174378334
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
(3R)-1-phenylhexan-3-amine
CID 66612996

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene?
The IUPAC name of [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene (CID 119080873) is [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene.
What is the SMILES notation for [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene?
The canonical SMILES for [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene is CCCC(CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene?
The InChIKey is DHRJESMNJONAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-2-15-32(29-18-9-4-10-19-29)26-34(31-22-13-6-14-23-31)27-33(30-20-11-5-12-21-30)25-24-28-16-7-3-8-17-28/h3-14,16-23,32-34H,2,15,24-27H2,1H3.
What are the key properties of [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene?
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene has a molecular weight of 446.68 g/mol, XLogP of 9.55, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene is sourced from PubChem (CID 119080873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).