4,7-diphenyloctan-2-ylbenzene

C26H30 — CID 21184937

IUPAC4,7-diphenyloctan-2-ylbenzene
SMILESCC(CCC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30/c1-21(23-12-6-3-7-13-23)18-19-26(25-16-10-5-11-17-25)20-22(2)24-14-8-4-9-15-24/h3-17,21-22,26H,18-20H2,1-2H3
InChIKeyBAJLLOPLUAFVGK-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.55
Rot. Bonds8

About 4,7-diphenyloctan-2-ylbenzene

4,7-diphenyloctan-2-ylbenzene (PubChem CID 21184937) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 4,7-diphenyloctan-2-ylbenzene.

Molecular Properties

Compound Name4,7-diphenyloctan-2-ylbenzene
PubChem CID21184937
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name4,7-diphenyloctan-2-ylbenzene
SMILESCC(CCC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30/c1-21(23-12-6-3-7-13-23)18-19-26(25-16-10-5-11-17-25)20-22(2)24-14-8-4-9-15-24/h3-17,21-22,26H,18-20H2,1-2H3
InChIKeyBAJLLOPLUAFVGK-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
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-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
pentan-2-ylbenzene
CID 17627
3-phenylbutane-1,1-diol
CID 18417931
4-chlorobutan-2-ylbenzene
CID 570466
1-butan-2-yl-4-(5,7-diphenylnonan-2-yl)benzene;2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 91264545
4-methylheptan-2-ylbenzene
CID 21055597
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
(1-ethyl-9-phenyldecyl)benzene
CID 154659486

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyloctan-2-ylbenzene?
The IUPAC name of 4,7-diphenyloctan-2-ylbenzene (CID 21184937) is 4,7-diphenyloctan-2-ylbenzene.
What is the SMILES notation for 4,7-diphenyloctan-2-ylbenzene?
The canonical SMILES for 4,7-diphenyloctan-2-ylbenzene is CC(CCC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,7-diphenyloctan-2-ylbenzene?
The InChIKey is BAJLLOPLUAFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-21(23-12-6-3-7-13-23)18-19-26(25-16-10-5-11-17-25)20-22(2)24-14-8-4-9-15-24/h3-17,21-22,26H,18-20H2,1-2H3.
What are the key properties of 4,7-diphenyloctan-2-ylbenzene?
4,7-diphenyloctan-2-ylbenzene has a molecular weight of 342.53 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyloctan-2-ylbenzene is sourced from PubChem (CID 21184937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).