1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene

C30H37I — CID 163342457

IUPAC1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene
SMILESCCc1cc(CC)c(-c2cccc(-c3c(CC)cc(CC)cc3CC)c2I)c(CC)c1
InChIInChI=1S/C30H37I/c1-7-20-16-22(9-3)28(23(10-4)17-20)26-14-13-15-27(30(26)31)29-24(11-5)18-21(8-2)19-25(29)12-6/h13-19H,7-12H2,1-6H3
InChIKeyZLBGOUKTPCFPSB-UHFFFAOYSA-N
MW524.53 g/mol
LogP9.00
Rot. Bonds8

About 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene

1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene (PubChem CID 163342457) has the molecular formula C30H37I and a molecular weight of 524.53 g/mol. Its IUPAC name is 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene
PubChem CID163342457
Molecular FormulaC30H37I
Molecular Weight524.53 g/mol
Exact Mass524.19
IUPAC Name1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene
SMILESCCc1cc(CC)c(-c2cccc(-c3c(CC)cc(CC)cc3CC)c2I)c(CC)c1
InChIInChI=1S/C30H37I/c1-7-20-16-22(9-3)28(23(10-4)17-20)26-14-13-15-27(30(26)31)29-24(11-5)18-21(8-2)19-25(29)12-6/h13-19H,7-12H2,1-6H3
InChIKeyZLBGOUKTPCFPSB-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
CID 102266833
1,3-diethylanthracene-9,10-dione
CID 22321054
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
CID 116698620
1,3-diethyl-2-iodobenzene
CID 18690512
2-(2,4-diethylphenyl)-3,5-diethylphenol
CID 141260398
4-(2,4-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303228
5-ethyl-1,2,3-triiodobenzene
CID 70822750
2-(3,5-dimethylphenyl)-1,3,5-triethylbenzene
CID 123795818
2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
2,3-diethylbiphenylene
CID 134993289
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene?
The IUPAC name of 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene (CID 163342457) is 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene?
The canonical SMILES for 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene is CCc1cc(CC)c(-c2cccc(-c3c(CC)cc(CC)cc3CC)c2I)c(CC)c1.
What is the InChIKey of 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene?
The InChIKey is ZLBGOUKTPCFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37I/c1-7-20-16-22(9-3)28(23(10-4)17-20)26-14-13-15-27(30(26)31)29-24(11-5)18-21(8-2)19-25(29)12-6/h13-19H,7-12H2,1-6H3.
What are the key properties of 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene?
1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene has a molecular weight of 524.53 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene is sourced from PubChem (CID 163342457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).