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

C30H38 — CID 23386381

IUPAC1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H38/c1-5-23(3)26-17-19-27(20-18-26)24(4)21-30(29-15-11-8-12-16-29)22-25(6-2)28-13-9-7-10-14-28/h7-20,23-25,30H,5-6,21-22H2,1-4H3
InChIKeyJIONAXRHTUBTNP-UHFFFAOYSA-N
MW398.63 g/mol
LogP9.06
Rot. Bonds10

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

1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene (PubChem CID 23386381) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
PubChem CID23386381
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H38/c1-5-23(3)26-17-19-27(20-18-26)24(4)21-30(29-15-11-8-12-16-29)22-25(6-2)28-13-9-7-10-14-28/h7-20,23-25,30H,5-6,21-22H2,1-4H3
InChIKeyJIONAXRHTUBTNP-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
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
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
bis(butan-2-ylbenzene);[(2S)-4,6-diphenyloctan-2-yl]benzene;ethane;[(5R)-1-ethyl-3-methyl-5-phenylhexyl]benzene;methanesulfonate;2-methylbutane
CID 158207148
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
4-(5-phenylhexan-3-yl)benzenesulfonic acid
CID 18731128

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene?
The IUPAC name of 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene (CID 23386381) is 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene?
The canonical SMILES for 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene is CCC(C)c1ccc(C(C)CC(CC(CC)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene?
The InChIKey is JIONAXRHTUBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-5-23(3)26-17-19-27(20-18-26)24(4)21-30(29-15-11-8-12-16-29)22-25(6-2)28-13-9-7-10-14-28/h7-20,23-25,30H,5-6,21-22H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene?
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene has a molecular weight of 398.63 g/mol, XLogP of 9.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene is sourced from PubChem (CID 23386381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).