1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene

C30H38 — CID 123884738

IUPAC1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
SMILESCCCCc1c(-c2ccccc2)cc(C(C)CC)c(-c2ccccc2)c1C(C)CC
InChIInChI=1S/C30H38/c1-6-9-20-26-28(24-16-12-10-13-17-24)21-27(22(4)7-2)30(29(26)23(5)8-3)25-18-14-11-15-19-25/h10-19,21-23H,6-9,20H2,1-5H3
InChIKeyOYYZUBVNFWYDFY-UHFFFAOYSA-N
MW398.63 g/mol
LogP9.39
Rot. Bonds9

About 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene

1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene (PubChem CID 123884738) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene.

Molecular Properties

Compound Name1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
PubChem CID123884738
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
SMILESCCCCc1c(-c2ccccc2)cc(C(C)CC)c(-c2ccccc2)c1C(C)CC
InChIInChI=1S/C30H38/c1-6-9-20-26-28(24-16-12-10-13-17-24)21-27(22(4)7-2)30(29(26)23(5)8-3)25-18-14-11-15-19-25/h10-19,21-23H,6-9,20H2,1-5H3
InChIKeyOYYZUBVNFWYDFY-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
CID 123827327
1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
CID 123655158
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
CID 150437166
2-butan-2-yl-1,4-diphenylbenzene
CID 57314523
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
2,5-dibutyl-3-phenylphenol
CID 122215941
[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 174856843
1-pentan-2-yl-3,5-dipentyl-2-phenylbenzene
CID 123204359
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822

Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene?
The IUPAC name of 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene (CID 123884738) is 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene.
What is the SMILES notation for 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene?
The canonical SMILES for 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene is CCCCc1c(-c2ccccc2)cc(C(C)CC)c(-c2ccccc2)c1C(C)CC.
What is the InChIKey of 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene?
The InChIKey is OYYZUBVNFWYDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-6-9-20-26-28(24-16-12-10-13-17-24)21-27(22(4)7-2)30(29(26)23(5)8-3)25-18-14-11-15-19-25/h10-19,21-23H,6-9,20H2,1-5H3.
What are the key properties of 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene?
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene has a molecular weight of 398.63 g/mol, XLogP of 9.39, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene is sourced from PubChem (CID 123884738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).