2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene

C29H30 — CID 153469807

IUPAC2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene
SMILESCCc1ccc(/C=C/C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)cc1
InChIInChI=1S/C29H30/c1-3-22-5-9-24(10-6-22)13-15-26-17-18-28-20-27(21-29(28)19-26)16-14-25-11-7-23(4-2)8-12-25/h5-12,14,16-19,21H,3-4,13,15,20H2,1-2H3/b16-14+
InChIKeyKHVDBYMODNUSEC-JQIJEIRASA-N
MW378.56 g/mol
LogP7.25
Rot. Bonds7

About 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene

2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene (PubChem CID 153469807) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene.

Molecular Properties

Compound Name2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene
PubChem CID153469807
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene
SMILESCCc1ccc(/C=C/C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)cc1
InChIInChI=1S/C29H30/c1-3-22-5-9-24(10-6-22)13-15-26-17-18-28-20-27(21-29(28)19-26)16-14-25-11-7-23(4-2)8-12-25/h5-12,14,16-19,21H,3-4,13,15,20H2,1-2H3/b16-14+
InChIKeyKHVDBYMODNUSEC-JQIJEIRASA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene?
The IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene (CID 153469807) is 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene.
What is the SMILES notation for 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene?
The canonical SMILES for 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene is CCc1ccc(/C=C/C2=Cc3cc(CCc4ccc(CC)cc4)ccc3C2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene?
The InChIKey is KHVDBYMODNUSEC-JQIJEIRASA-N. The full InChI is InChI=1S/C29H30/c1-3-22-5-9-24(10-6-22)13-15-26-17-18-28-20-27(21-29(28)19-26)16-14-25-11-7-23(4-2)8-12-25/h5-12,14,16-19,21H,3-4,13,15,20H2,1-2H3/b16-14+.
What are the key properties of 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene?
2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene has a molecular weight of 378.56 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-[2-(4-ethylphenyl)ethyl]-1H-indene is sourced from PubChem (CID 153469807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).