1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene

C44H74 — CID 173144517

IUPAC1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
SMILESCCCCC(CC)Cc1cc(-c2ccccc2)c(CC(CC)CCCC)c(CC(CC)CCCC)c1CC(CC)CCCC
InChIInChI=1S/C44H74/c1-9-17-24-35(13-5)30-40-34-42(39-28-22-21-23-29-39)44(33-38(16-8)27-20-12-4)43(32-37(15-7)26-19-11-3)41(40)31-36(14-6)25-18-10-2/h21-23,28-29,34-38H,9-20,24-27,30-33H2,1-8H3
InChIKeyTUYBKXBBSMJZNW-UHFFFAOYSA-N
MW603.08 g/mol
LogP14.39
Rot. Bonds25

About 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene

1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene (PubChem CID 173144517) has the molecular formula C44H74 and a molecular weight of 603.08 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
PubChem CID173144517
Molecular FormulaC44H74
Molecular Weight603.08 g/mol
Exact Mass602.58
IUPAC Name1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
SMILESCCCCC(CC)Cc1cc(-c2ccccc2)c(CC(CC)CCCC)c(CC(CC)CCCC)c1CC(CC)CCCC
InChIInChI=1S/C44H74/c1-9-17-24-35(13-5)30-40-34-42(39-28-22-21-23-29-39)44(33-38(16-8)27-20-12-4)43(32-37(15-7)26-19-11-3)41(40)31-36(14-6)25-18-10-2/h21-23,28-29,34-38H,9-20,24-27,30-33H2,1-8H3
InChIKeyTUYBKXBBSMJZNW-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris[2-(2-ethylhexyl)-6-phenylphenyl] phosphate
CID 141000923
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
4,7-bis[4-[4-(2-ethylhexyl)naphthalen-1-yl]phenyl]-2,1,3-benzothiadiazole
CID 139386504
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
3-(2-ethylhexyl)-2-phenylbenzonitrile
CID 91192220
diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone
CID 174464692
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
3-(2-butyloctyl)-4-phenylbenzoic acid
CID 135345203
[2,3-bis(2-ethylhexyl)phenyl]-phenylmethanone;propanedioic acid
CID 159550391
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
CID 143125709
2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene
CID 175505048

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene?
The IUPAC name of 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene (CID 173144517) is 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene.
What is the SMILES notation for 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene?
The canonical SMILES for 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene is CCCCC(CC)Cc1cc(-c2ccccc2)c(CC(CC)CCCC)c(CC(CC)CCCC)c1CC(CC)CCCC.
What is the InChIKey of 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene?
The InChIKey is TUYBKXBBSMJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H74/c1-9-17-24-35(13-5)30-40-34-42(39-28-22-21-23-29-39)44(33-38(16-8)27-20-12-4)43(32-37(15-7)26-19-11-3)41(40)31-36(14-6)25-18-10-2/h21-23,28-29,34-38H,9-20,24-27,30-33H2,1-8H3.
What are the key properties of 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene?
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene has a molecular weight of 603.08 g/mol, XLogP of 14.39, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene is sourced from PubChem (CID 173144517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).