1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene

C50H54 — CID 102370536

IUPAC1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
SMILESCCc1ccc(CCc2ccc(CCc3ccc(CCc4ccc(CCc5ccc(CCc6ccc(CC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H54/c1-3-39-5-9-41(10-6-39)13-15-43-17-21-45(22-18-43)25-27-47-29-33-49(34-30-47)37-38-50-35-31-48(32-36-50)28-26-46-23-19-44(20-24-46)16-14-42-11-7-40(4-2)8-12-42/h5-12,17-24,29-36H,3-4,13-16,25-28,37-38H2,1-2H3
InChIKeyNWRPLRSCKWLBGM-UHFFFAOYSA-N
MW654.98 g/mol
LogP11.74
Rot. Bonds17

About 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene

1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene (PubChem CID 102370536) has the molecular formula C50H54 and a molecular weight of 654.98 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
PubChem CID102370536
Molecular FormulaC50H54
Molecular Weight654.98 g/mol
Exact Mass654.42
IUPAC Name1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
SMILESCCc1ccc(CCc2ccc(CCc3ccc(CCc4ccc(CCc5ccc(CCc6ccc(CC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H54/c1-3-39-5-9-41(10-6-39)13-15-43-17-21-45(22-18-43)25-27-47-29-33-49(34-30-47)37-38-50-35-31-48(32-36-50)28-26-46-23-19-44(20-24-46)16-14-42-11-7-40(4-2)8-12-42/h5-12,17-24,29-36H,3-4,13-16,25-28,37-38H2,1-2H3
InChIKeyNWRPLRSCKWLBGM-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.98
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane
CID 144873736
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
1,4-diethylbenzene;ethane;methane
CID 166131756
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-octacosylbenzene
CID 175218304
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene?
The IUPAC name of 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene (CID 102370536) is 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene is CCc1ccc(CCc2ccc(CCc3ccc(CCc4ccc(CCc5ccc(CCc6ccc(CC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene?
The InChIKey is NWRPLRSCKWLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54/c1-3-39-5-9-41(10-6-39)13-15-43-17-21-45(22-18-43)25-27-47-29-33-49(34-30-47)37-38-50-35-31-48(32-36-50)28-26-46-23-19-44(20-24-46)16-14-42-11-7-40(4-2)8-12-42/h5-12,17-24,29-36H,3-4,13-16,25-28,37-38H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene?
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene has a molecular weight of 654.98 g/mol, XLogP of 11.74, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene is sourced from PubChem (CID 102370536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).