1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene

C46H54 — CID 143858458

IUPAC1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
SMILESCCC(CC(CC(C)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)C(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H54/c1-5-36(39-22-14-9-15-23-39)33-44(32-35(4)38-20-12-8-13-21-38)41-28-30-43(31-29-41)46(45(7-3)42-26-18-11-19-27-42)34-37(6-2)40-24-16-10-17-25-40/h8-31,35-37,44-46H,5-7,32-34H2,1-4H3
InChIKeyKTNORGXCAMUUJZ-UHFFFAOYSA-N
MW606.94 g/mol
LogP13.41
Rot. Bonds16

About 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene

1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene (PubChem CID 143858458) has the molecular formula C46H54 and a molecular weight of 606.94 g/mol. Its IUPAC name is 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene.

Molecular Properties

Compound Name1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
PubChem CID143858458
Molecular FormulaC46H54
Molecular Weight606.94 g/mol
Exact Mass606.42
IUPAC Name1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
SMILESCCC(CC(CC(C)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)C(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H54/c1-5-36(39-22-14-9-15-23-39)33-44(32-35(4)38-20-12-8-13-21-38)41-28-30-43(31-29-41)46(45(7-3)42-26-18-11-19-27-42)34-37(6-2)40-24-16-10-17-25-40/h8-31,35-37,44-46H,5-7,32-34H2,1-4H3
InChIKeyKTNORGXCAMUUJZ-UHFFFAOYSA-N
XLogP13.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.94
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
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
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
4-(5-phenylhexan-3-yl)benzenesulfonic acid
CID 18731128
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene?
The IUPAC name of 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene (CID 143858458) is 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene.
What is the SMILES notation for 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene?
The canonical SMILES for 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene is CCC(CC(CC(C)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)C(CC)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene?
The InChIKey is KTNORGXCAMUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54/c1-5-36(39-22-14-9-15-23-39)33-44(32-35(4)38-20-12-8-13-21-38)41-28-30-43(31-29-41)46(45(7-3)42-26-18-11-19-27-42)34-37(6-2)40-24-16-10-17-25-40/h8-31,35-37,44-46H,5-7,32-34H2,1-4H3.
What are the key properties of 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene?
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene has a molecular weight of 606.94 g/mol, XLogP of 13.41, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene is sourced from PubChem (CID 143858458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).