bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)

C84H124 — CID 158590082

IUPACbis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2
InChIInChI=1S/2C9H10.4C9H8.6C5H12/c6*1-2-5-9-7-3-6-8(9)4-1;6*1-5(2,3)4/h2*1-2,4-5H,3,6-7H2;4*1-6H,7H2;6*1-4H3
InChIKeyHUIJLMCLLYTWJS-UHFFFAOYSA-N
MW1133.92 g/mol
LogP25.69
Rot. Bonds

About bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)

bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene) (PubChem CID 158590082) has the molecular formula C84H124 and a molecular weight of 1133.92 g/mol. Its IUPAC name is bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene).

Molecular Properties

Compound Namebis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
PubChem CID158590082
Molecular FormulaC84H124
Molecular Weight1133.92 g/mol
Exact Mass1132.97
IUPAC Namebis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2
InChIInChI=1S/2C9H10.4C9H8.6C5H12/c6*1-2-5-9-7-3-6-8(9)4-1;6*1-5(2,3)4/h2*1-2,4-5H,3,6-7H2;4*1-6H,7H2;6*1-4H3
InChIKeyHUIJLMCLLYTWJS-UHFFFAOYSA-N
XLogP25.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.92
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(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

Related Compounds

2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
2,2-dimethylpropane;1H-indene
CID 91444603
2,3-dihydro-1H-indene;1H-indene;naphthalene
CID 161039487
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
copper;1H-indene
CID 175216856
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
CID 160566551
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
CID 67393892
CID 67393892
ethoxyethane;1H-indene
CID 86747629

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)?
The IUPAC name of bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene) (CID 158590082) is bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene).
What is the SMILES notation for bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)?
The canonical SMILES for bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene) is C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.
What is the InChIKey of bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)?
The InChIKey is HUIJLMCLLYTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10.4C9H8.6C5H12/c6*1-2-5-9-7-3-6-8(9)4-1;6*1-5(2,3)4/h2*1-2,4-5H,3,6-7H2;4*1-6H,7H2;6*1-4H3.
What are the key properties of bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)?
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene) has a molecular weight of 1133.92 g/mol, XLogP of 25.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene) is sourced from PubChem (CID 158590082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).