1,3,5-trimethyl-2-(2-phenylphenyl)benzene

C21H20 — CID 18795387

IUPAC1,3,5-trimethyl-2-(2-phenylphenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H20/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyLUWVCZBDQNEQQR-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

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

1,3,5-trimethyl-2-(2-phenylphenyl)benzene (PubChem CID 18795387) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2-phenylphenyl)benzene
PubChem CID18795387
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,3,5-trimethyl-2-(2-phenylphenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C21H20/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyLUWVCZBDQNEQQR-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 174726778
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
CID 101269053
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
CID 58590120
7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 59090312
1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
CID 173374837
1-methyl-4,8-diphenylazulene
CID 86056773
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(2-phenylphenyl)benzene (CID 18795387) is 1,3,5-trimethyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(2-phenylphenyl)benzene is Cc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The InChIKey is LUWVCZBDQNEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-14H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
1,3,5-trimethyl-2-(2-phenylphenyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 18795387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).