1,1-diphenylhexan-3-ylbenzene

C24H26 — CID 57087261

IUPAC1,1-diphenylhexan-3-ylbenzene
SMILESCCCC(CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26/c1-2-12-23(20-13-6-3-7-14-20)19-24(21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23-24H,2,12,19H2,1H3
InChIKeyRFBZYHXWXHLTMV-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.79
Rot. Bonds7

About 1,1-diphenylhexan-3-ylbenzene

1,1-diphenylhexan-3-ylbenzene (PubChem CID 57087261) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,1-diphenylhexan-3-ylbenzene.

Molecular Properties

Compound Name1,1-diphenylhexan-3-ylbenzene
PubChem CID57087261
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1,1-diphenylhexan-3-ylbenzene
SMILESCCCC(CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26/c1-2-12-23(20-13-6-3-7-14-20)19-24(21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23-24H,2,12,19H2,1H3
InChIKeyRFBZYHXWXHLTMV-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoroheptan-4-ylbenzene
CID 174378334
4,6-diphenylnonane-1,1-diol
CID 162161241
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
10-phenyltetradecan-5-ylbenzene
CID 22891787
4-heptan-4-ylbenzaldehyde;heptan-4-ylbenzene
CID 157461357
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhexan-3-ylbenzene?
The IUPAC name of 1,1-diphenylhexan-3-ylbenzene (CID 57087261) is 1,1-diphenylhexan-3-ylbenzene.
What is the SMILES notation for 1,1-diphenylhexan-3-ylbenzene?
The canonical SMILES for 1,1-diphenylhexan-3-ylbenzene is CCCC(CC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylhexan-3-ylbenzene?
The InChIKey is RFBZYHXWXHLTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-2-12-23(20-13-6-3-7-14-20)19-24(21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23-24H,2,12,19H2,1H3.
What are the key properties of 1,1-diphenylhexan-3-ylbenzene?
1,1-diphenylhexan-3-ylbenzene has a molecular weight of 314.47 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhexan-3-ylbenzene is sourced from PubChem (CID 57087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).