1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene

C33H28O — CID 173374837

IUPAC1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
SMILESCc1cc(C)c(-c2cc(-c3cccc(Oc4ccccc4)c3)ccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C33H28O/c1-23-19-24(2)33(25(3)20-23)32-22-28(17-18-31(32)26-11-6-4-7-12-26)27-13-10-16-30(21-27)34-29-14-8-5-9-15-29/h4-22H,1-3H3
InChIKeyCISIRQBGEYWFAJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP9.41
Rot. Bonds5

About 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene

1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene (PubChem CID 173374837) has the molecular formula C33H28O and a molecular weight of 440.59 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
PubChem CID173374837
Molecular FormulaC33H28O
Molecular Weight440.59 g/mol
Exact Mass440.21
IUPAC Name1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
SMILESCc1cc(C)c(-c2cc(-c3cccc(Oc4ccccc4)c3)ccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C33H28O/c1-23-19-24(2)33(25(3)20-23)32-22-28(17-18-31(32)26-11-6-4-7-12-26)27-13-10-16-30(21-27)34-29-14-8-5-9-15-29/h4-22H,1-3H3
InChIKeyCISIRQBGEYWFAJ-UHFFFAOYSA-N
XLogP9.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene (CID 173374837) is 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene is Cc1cc(C)c(-c2cc(-c3cccc(Oc4ccccc4)c3)ccc2-c2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene?
The InChIKey is CISIRQBGEYWFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O/c1-23-19-24(2)33(25(3)20-23)32-22-28(17-18-31(32)26-11-6-4-7-12-26)27-13-10-16-30(21-27)34-29-14-8-5-9-15-29/h4-22H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene?
1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene has a molecular weight of 440.59 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene is sourced from PubChem (CID 173374837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).