CID 134902970

C26H34NSi3Y- — CID 134902970

IUPAC—
SMILESC[C]1[CH][C]2C=CC=C[C]2[C]1[Si](C)(C)[C]1[C](C)[CH][C]2C=CC=C[C]21.C[Si](C)[N-][Si](C)C.[Y]
InChIInChI=1S/C22H22Si.C4H12NSi2.Y/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-6(2)5-7(3)4;/h5-14H,1-4H3;1-4H3;/q;-1;
InChIKeyJQNPUSYOHPZJCB-UHFFFAOYSA-N
MW533.73 g/mol
LogP6.96
Rot. Bonds4

About CID 134902970

CID 134902970 (PubChem CID 134902970) has the molecular formula C26H34NSi3Y- and a molecular weight of 533.73 g/mol.

Molecular Properties

Compound NameCID 134902970
PubChem CID134902970
Molecular FormulaC26H34NSi3Y-
Molecular Weight533.73 g/mol
Exact Mass533.11
IUPAC Name—
SMILESC[C]1[CH][C]2C=CC=C[C]2[C]1[Si](C)(C)[C]1[C](C)[CH][C]2C=CC=C[C]21.C[Si](C)[N-][Si](C)C.[Y]
InChIInChI=1S/C22H22Si.C4H12NSi2.Y/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-6(2)5-7(3)4;/h5-14H,1-4H3;1-4H3;/q;-1;
InChIKeyJQNPUSYOHPZJCB-UHFFFAOYSA-N
XLogP6.96
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.73
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21982021
CID 134991309
CID 134991309
CID 135046583
CID 135046583
CID 10929547
CID 10929547
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 17759945
bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethylsilane
CID 18349385
dimethyl-bis(2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 18463884
dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 20576736
bis(2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 21261176
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-dimethylsilane
CID 23233020
bis[(3aR)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882947
bis[(3aR)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 57882951

Frequently Asked Questions

What is the IUPAC name of CID 134902970?
The IUPAC name of CID 134902970 (CID 134902970) is not available.
What is the SMILES notation for CID 134902970?
The canonical SMILES for CID 134902970 is C[C]1[CH][C]2C=CC=C[C]2[C]1[Si](C)(C)[C]1[C](C)[CH][C]2C=CC=C[C]21.C[Si](C)[N-][Si](C)C.[Y].
What is the InChIKey of CID 134902970?
The InChIKey is JQNPUSYOHPZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Si.C4H12NSi2.Y/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-6(2)5-7(3)4;/h5-14H,1-4H3;1-4H3;/q;-1;.
What are the key properties of CID 134902970?
CID 134902970 has a molecular weight of 533.73 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902970 is sourced from PubChem (CID 134902970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).