1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene

C50H46 — CID 143905963

IUPAC1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene
SMILESCCCc1c(-c2ccc(-c3ccccc3)cc2)cccc1-c1cc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2CCC)c(C)cc1C
InChIInChI=1S/C50H46/c1-5-15-45-43(41-29-25-39(26-30-41)37-17-9-7-10-18-37)21-13-23-47(45)49-34-50(36(4)33-35(49)3)48-24-14-22-44(46(48)16-6-2)42-31-27-40(28-32-42)38-19-11-8-12-20-38/h7-14,17-34H,5-6,15-16H2,1-4H3
InChIKeyLGVOIPFTNZYOFX-UHFFFAOYSA-N
MW646.92 g/mol
LogP14.21
Rot. Bonds10

About 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene

1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene (PubChem CID 143905963) has the molecular formula C50H46 and a molecular weight of 646.92 g/mol. Its IUPAC name is 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene.

Molecular Properties

Compound Name1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene
PubChem CID143905963
Molecular FormulaC50H46
Molecular Weight646.92 g/mol
Exact Mass646.36
IUPAC Name1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene
SMILESCCCc1c(-c2ccc(-c3ccccc3)cc2)cccc1-c1cc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2CCC)c(C)cc1C
InChIInChI=1S/C50H46/c1-5-15-45-43(41-29-25-39(26-30-41)37-17-9-7-10-18-37)21-13-23-47(45)49-34-50(36(4)33-35(49)3)48-24-14-22-44(46(48)16-6-2)42-31-27-40(28-32-42)38-19-11-8-12-20-38/h7-14,17-34H,5-6,15-16H2,1-4H3
InChIKeyLGVOIPFTNZYOFX-UHFFFAOYSA-N
XLogP14.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.92
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
CID 59609379
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
1-propylazulene
CID 10397225
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
4-methyl-3-phenyl-7-propyl-1-benzofuran-6-ol
CID 58754017

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene?
The IUPAC name of 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene (CID 143905963) is 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene.
What is the SMILES notation for 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene?
The canonical SMILES for 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene is CCCc1c(-c2ccc(-c3ccccc3)cc2)cccc1-c1cc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2CCC)c(C)cc1C.
What is the InChIKey of 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene?
The InChIKey is LGVOIPFTNZYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46/c1-5-15-45-43(41-29-25-39(26-30-41)37-17-9-7-10-18-37)21-13-23-47(45)49-34-50(36(4)33-35(49)3)48-24-14-22-44(46(48)16-6-2)42-31-27-40(28-32-42)38-19-11-8-12-20-38/h7-14,17-34H,5-6,15-16H2,1-4H3.
What are the key properties of 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene?
1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene has a molecular weight of 646.92 g/mol, XLogP of 14.21, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,4-bis[3-(4-phenylphenyl)-2-propylphenyl]benzene is sourced from PubChem (CID 143905963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).