1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane

C83H102Si — CID 157465831

IUPAC1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane
SMILESCc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/2C15H16.C14H14.C11H16.C10H16Si.2C9H12/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-7-4-5-8(2)9(3)6-7/h2*4-10H,1-3H3;3-10H,1-2H3;2*5-8H,1-4H3;2*4-6H,1-3H3
InChIKeyBULTYWZJXJVTBN-UHFFFAOYSA-N
MW1127.81 g/mol
LogP23.58
Rot. Bonds4

About 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane

1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane (PubChem CID 157465831) has the molecular formula C83H102Si and a molecular weight of 1127.81 g/mol. Its IUPAC name is 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane.

Molecular Properties

Compound Name1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane
PubChem CID157465831
Molecular FormulaC83H102Si
Molecular Weight1127.81 g/mol
Exact Mass1126.78
IUPAC Name1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane
SMILESCc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/2C15H16.C14H14.C11H16.C10H16Si.2C9H12/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-7-4-5-8(2)9(3)6-7/h2*4-10H,1-3H3;3-10H,1-2H3;2*5-8H,1-4H3;2*4-6H,1-3H3
InChIKeyBULTYWZJXJVTBN-UHFFFAOYSA-N
XLogP23.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.81
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
CID 161447273
trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
CID 58390070
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine
CID 158840972
bis(1,2-dimethyl-4-(2-methylphenyl)benzene);bis(1,2-dimethyl-4-phenylbenzene);1-(3,4-dimethylphenyl)-2,4-dimethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;bis(1,2,3-trimethyl-5-phenylbenzene)
CID 161130606
2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-ylanthracen-2-yl)-trimethylsilane;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene
CID 159667570
1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
9-(4-tert-butylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-dimethylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-phenanthren-9-yl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 160742199
1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
CID 157205321
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane?
The IUPAC name of 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane (CID 157465831) is 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane.
What is the SMILES notation for 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane?
The canonical SMILES for 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane is Cc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane?
The InChIKey is BULTYWZJXJVTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16.C14H14.C11H16.C10H16Si.2C9H12/c1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;2*1-9-5-7-10(8-6-9)11(2,3)4;2*1-7-4-5-8(2)9(3)6-7/h2*4-10H,1-3H3;3-10H,1-2H3;2*5-8H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane?
1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane has a molecular weight of 1127.81 g/mol, XLogP of 23.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane is sourced from PubChem (CID 157465831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).