1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene

C92H96 — CID 161066607

IUPAC1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1.c1ccc(CCCc2cccc(CCCc3ccccc3)c2)cc1.c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1.c1ccc(CCc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/2C24H26.2C22H22/c1-3-10-21(11-4-1)14-7-16-23-18-9-19-24(20-23)17-8-15-22-12-5-2-6-13-22;1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22;1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20;1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-6,9-13,18-20H,7-8,14-17H2;1-6,9-12,17-20H,7-8,13-16H2;1-13,18H,14-17H2;1-10,15-18H,11-14H2
InChIKeyUECIMWQUIDQHPA-UHFFFAOYSA-N
MW1201.78 g/mol
LogP22.59
Rot. Bonds28

About 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene

1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene (PubChem CID 161066607) has the molecular formula C92H96 and a molecular weight of 1201.78 g/mol. Its IUPAC name is 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
PubChem CID161066607
Molecular FormulaC92H96
Molecular Weight1201.78 g/mol
Exact Mass1200.75
IUPAC Name1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1.c1ccc(CCCc2cccc(CCCc3ccccc3)c2)cc1.c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1.c1ccc(CCc2cccc(CCc3ccccc3)c2)cc1
InChIInChI=1S/2C24H26.2C22H22/c1-3-10-21(11-4-1)14-7-16-23-18-9-19-24(20-23)17-8-15-22-12-5-2-6-13-22;1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22;1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20;1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-6,9-13,18-20H,7-8,14-17H2;1-6,9-12,17-20H,7-8,13-16H2;1-13,18H,14-17H2;1-10,15-18H,11-14H2
InChIKeyUECIMWQUIDQHPA-UHFFFAOYSA-N
XLogP22.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.78
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
CID 159131095
CID 159131095
1-benzyl-3-(6-phenylhexyl)benzene
CID 123789235
4-phenylbutylbenzene
CID 141301927
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
benzene;2-phenylethylbenzene
CID 18982764
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene?
The IUPAC name of 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene (CID 161066607) is 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene.
What is the SMILES notation for 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene?
The canonical SMILES for 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene is c1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1.c1ccc(CCCc2cccc(CCCc3ccccc3)c2)cc1.c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1.c1ccc(CCc2cccc(CCc3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene?
The InChIKey is UECIMWQUIDQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26.2C22H22/c1-3-10-21(11-4-1)14-7-16-23-18-9-19-24(20-23)17-8-15-22-12-5-2-6-13-22;1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22;1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20;1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-6,9-13,18-20H,7-8,14-17H2;1-6,9-12,17-20H,7-8,13-16H2;1-13,18H,14-17H2;1-10,15-18H,11-14H2.
What are the key properties of 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene?
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene has a molecular weight of 1201.78 g/mol, XLogP of 22.59, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene is sourced from PubChem (CID 161066607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).