CID 91311200

C45H53Si — CID 91311200

IUPAC—
SMILESCCCCC[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C45H53Si/c1-10-11-12-27-46(42-30(2)28-40-36(15-13-17-38(40)42)32-19-23-34(24-20-32)44(4,5)6)43-31(3)29-41-37(16-14-18-39(41)43)33-21-25-35(26-22-33)45(7,8)9/h13-26,28-29,42-43H,10-12,27H2,1-9H3
InChIKeyIOQUZNSMVXBPAX-UHFFFAOYSA-N
MW622.01 g/mol
LogP13.08
Rot. Bonds8

About CID 91311200

CID 91311200 (PubChem CID 91311200) has the molecular formula C45H53Si and a molecular weight of 622.01 g/mol.

Molecular Properties

Compound NameCID 91311200
PubChem CID91311200
Molecular FormulaC45H53Si
Molecular Weight622.01 g/mol
Exact Mass621.39
IUPAC Name—
SMILESCCCCC[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C45H53Si/c1-10-11-12-27-46(42-30(2)28-40-36(15-13-17-38(40)42)32-19-23-34(24-20-32)44(4,5)6)43-31(3)29-41-37(16-14-18-39(41)43)33-21-25-35(26-22-33)45(7,8)9/h13-26,28-29,42-43H,10-12,27H2,1-9H3
InChIKeyIOQUZNSMVXBPAX-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.01
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 91311200 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

CID 142753465
CID 142753465
CID 174294695
CID 174294695
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
CID 162724348
CID 162724348
CID 71082782
CID 71082782
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
CID 173305494
CID 173305494
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline
CID 143486578
CID 70019143
CID 70019143
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline
CID 143486580
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884

Frequently Asked Questions

What is the IUPAC name of CID 91311200?
The IUPAC name of CID 91311200 (CID 91311200) is not available.
What is the SMILES notation for CID 91311200?
The canonical SMILES for CID 91311200 is CCCCC[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.
What is the InChIKey of CID 91311200?
The InChIKey is IOQUZNSMVXBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53Si/c1-10-11-12-27-46(42-30(2)28-40-36(15-13-17-38(40)42)32-19-23-34(24-20-32)44(4,5)6)43-31(3)29-41-37(16-14-18-39(41)43)33-21-25-35(26-22-33)45(7,8)9/h13-26,28-29,42-43H,10-12,27H2,1-9H3.
What are the key properties of CID 91311200?
CID 91311200 has a molecular weight of 622.01 g/mol, XLogP of 13.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91311200 is sourced from PubChem (CID 91311200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).