1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene

C30H30 — CID 117071538

IUPAC1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(c2cccc(C)c2)C(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C30H30/c1-21-9-5-13-25(17-21)29(26-14-6-10-22(2)18-26)30(27-15-7-11-23(3)19-27)28-16-8-12-24(4)20-28/h5-20,29-30H,1-4H3
InChIKeyKZYQDLZKZATNJQ-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.88
Rot. Bonds5

About 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene

1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene (PubChem CID 117071538) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
PubChem CID117071538
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(c2cccc(C)c2)C(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C30H30/c1-21-9-5-13-25(17-21)29(26-14-6-10-22(2)18-26)30(27-15-7-11-23(3)19-27)28-16-8-12-24(4)20-28/h5-20,29-30H,1-4H3
InChIKeyKZYQDLZKZATNJQ-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142020139
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(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
CID 142381961
CID 142381961
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-(diisocyanomethyl)-3-methylbenzene
CID 57015247
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
CID 156724864
CID 156724864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene?
The IUPAC name of 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene (CID 117071538) is 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene is Cc1cccc(C(c2cccc(C)c2)C(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene?
The InChIKey is KZYQDLZKZATNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-21-9-5-13-25(17-21)29(26-14-6-10-22(2)18-26)30(27-15-7-11-23(3)19-27)28-16-8-12-24(4)20-28/h5-20,29-30H,1-4H3.
What are the key properties of 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene?
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene has a molecular weight of 390.57 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 117071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).