1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene

C68H98 — CID 163605506

IUPAC1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CCc1ccc(Cc2ccc(-c3ccc(Cc4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C30H30.C24H26.7C2H6/c1-3-23-5-9-25(10-6-23)21-27-13-17-29(18-14-27)30-19-15-28(16-20-30)22-26-11-7-24(4-2)8-12-26;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;7*1-2/h5-20H,3-4,21-22H2,1-2H3;5-16H,3-4,17-18H2,1-2H3;7*1-2H3
InChIKeyHBKGQGMRQIHNFL-UHFFFAOYSA-N
MW915.53 g/mol
LogP20.84
Rot. Bonds13

About 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene

1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene (PubChem CID 163605506) has the molecular formula C68H98 and a molecular weight of 915.53 g/mol. Its IUPAC name is 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
PubChem CID163605506
Molecular FormulaC68H98
Molecular Weight915.53 g/mol
Exact Mass914.77
IUPAC Name1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CCc1ccc(Cc2ccc(-c3ccc(Cc4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C30H30.C24H26.7C2H6/c1-3-23-5-9-25(10-6-23)21-27-13-17-29(18-14-27)30-19-15-28(16-20-30)22-26-11-7-24(4-2)8-12-26;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;7*1-2/h5-20H,3-4,21-22H2,1-2H3;5-16H,3-4,17-18H2,1-2H3;7*1-2H3
InChIKeyHBKGQGMRQIHNFL-UHFFFAOYSA-N
XLogP20.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.53
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene with MolForge

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
1,4-diethylbenzene;ethane
CID 91207141
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1,4-diethylbenzene;ethane;methane
CID 166131756
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
[4-[4-[4-(4-ethylphenyl)phenyl]phenyl]phenyl]methanethiol
CID 121337523
1-benzyl-4-ethylbenzene;methane
CID 144571765

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene?
The IUPAC name of 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene (CID 163605506) is 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene.
What is the SMILES notation for 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene?
The canonical SMILES for 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene is CC.CC.CC.CC.CC.CC.CC.CCc1ccc(Cc2ccc(-c3ccc(Cc4ccc(CC)cc4)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene?
The InChIKey is HBKGQGMRQIHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30.C24H26.7C2H6/c1-3-23-5-9-25(10-6-23)21-27-13-17-29(18-14-27)30-19-15-28(16-20-30)22-26-11-7-24(4-2)8-12-26;1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22;7*1-2/h5-20H,3-4,21-22H2,1-2H3;5-16H,3-4,17-18H2,1-2H3;7*1-2H3.
What are the key properties of 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene?
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene has a molecular weight of 915.53 g/mol, XLogP of 20.84, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene is sourced from PubChem (CID 163605506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).