1,3-bis(2-phenylbutan-2-yl)benzene;methane

C29H42 — CID 144908035

IUPAC1,3-bis(2-phenylbutan-2-yl)benzene;methane
SMILESC.C.C.CCC(C)(c1ccccc1)c1cccc(C(C)(CC)c2ccccc2)c1
InChIInChI=1S/C26H30.3CH4/c1-5-25(3,21-14-9-7-10-15-21)23-18-13-19-24(20-23)26(4,6-2)22-16-11-8-12-17-22;;;/h7-20H,5-6H2,1-4H3;3*1H4
InChIKeyUHMXRLIXAGOPAB-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.03
Rot. Bonds6

About 1,3-bis(2-phenylbutan-2-yl)benzene;methane

1,3-bis(2-phenylbutan-2-yl)benzene;methane (PubChem CID 144908035) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1,3-bis(2-phenylbutan-2-yl)benzene;methane.

Molecular Properties

Compound Name1,3-bis(2-phenylbutan-2-yl)benzene;methane
PubChem CID144908035
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name1,3-bis(2-phenylbutan-2-yl)benzene;methane
SMILESC.C.C.CCC(C)(c1ccccc1)c1cccc(C(C)(CC)c2ccccc2)c1
InChIInChI=1S/C26H30.3CH4/c1-5-25(3,21-14-9-7-10-15-21)23-18-13-19-24(20-23)26(4,6-2)22-16-11-8-12-17-22;;;/h7-20H,5-6H2,1-4H3;3*1H4
InChIKeyUHMXRLIXAGOPAB-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
1-methyl-6-(2-phenylbutan-2-yl)indole
CID 174566819
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
CID 166970912
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
CID 23363497
ethane;3-methylpentan-3-ylbenzene
CID 90745317
9,9-dimethyl-2-(4-methylphenyl)-7-(2-phenylbutan-2-yl)fluorene
CID 143306948
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
CID 139750828
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-phenylbutan-2-yl)benzene;methane?
The IUPAC name of 1,3-bis(2-phenylbutan-2-yl)benzene;methane (CID 144908035) is 1,3-bis(2-phenylbutan-2-yl)benzene;methane.
What is the SMILES notation for 1,3-bis(2-phenylbutan-2-yl)benzene;methane?
The canonical SMILES for 1,3-bis(2-phenylbutan-2-yl)benzene;methane is C.C.C.CCC(C)(c1ccccc1)c1cccc(C(C)(CC)c2ccccc2)c1.
What is the InChIKey of 1,3-bis(2-phenylbutan-2-yl)benzene;methane?
The InChIKey is UHMXRLIXAGOPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.3CH4/c1-5-25(3,21-14-9-7-10-15-21)23-18-13-19-24(20-23)26(4,6-2)22-16-11-8-12-17-22;;;/h7-20H,5-6H2,1-4H3;3*1H4.
What are the key properties of 1,3-bis(2-phenylbutan-2-yl)benzene;methane?
1,3-bis(2-phenylbutan-2-yl)benzene;methane has a molecular weight of 390.66 g/mol, XLogP of 9.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylbutan-2-yl)benzene;methane is sourced from PubChem (CID 144908035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).