1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene

C27H32 — CID 91306143

IUPAC1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2cc(-c3ccc(C(C)C)cc3)cc(C(C)C)c2)cc1
InChIInChI=1S/C27H32/c1-18(2)21-7-11-23(12-8-21)26-15-25(20(5)6)16-27(17-26)24-13-9-22(10-14-24)19(3)4/h7-20H,1-6H3
InChIKeyIMWXVLNKHRYKGU-UHFFFAOYSA-N
MW356.55 g/mol
LogP8.39
Rot. Bonds5

About 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene

1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene (PubChem CID 91306143) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
PubChem CID91306143
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2cc(-c3ccc(C(C)C)cc3)cc(C(C)C)c2)cc1
InChIInChI=1S/C27H32/c1-18(2)21-7-11-23(12-8-21)26-15-25(20(5)6)16-27(17-26)24-13-9-22(10-14-24)19(3)4/h7-20H,1-6H3
InChIKeyIMWXVLNKHRYKGU-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
4-(4-propan-2-ylphenyl)phosphinine
CID 142128877
2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline
CID 82084381
[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane
CID 170292816
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
3-(4-propan-2-ylphenyl)aniline
CID 28911760
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene (CID 91306143) is 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2cc(-c3ccc(C(C)C)cc3)cc(C(C)C)c2)cc1.
What is the InChIKey of 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene?
The InChIKey is IMWXVLNKHRYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-18(2)21-7-11-23(12-8-21)26-15-25(20(5)6)16-27(17-26)24-13-9-22(10-14-24)19(3)4/h7-20H,1-6H3.
What are the key properties of 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene?
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene has a molecular weight of 356.55 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 91306143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).