CID 70019143

C33H38NSi — CID 70019143

IUPAC—
SMILESCCC1=NC2=CC=C(C)C2=C1C.CCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si]
InChIInChI=1S/C22H25Si.C11H13N/c1-5-7-16-14-20-18(8-6-9-19(20)21(16)23)15-10-12-17(13-11-15)22(2,3)4;1-4-9-8(3)11-7(2)5-6-10(11)12-9/h6,8-14,21H,5,7H2,1-4H3;5-6H,4H2,1-3H3
InChIKeyKRHGGOJHTISAAT-UHFFFAOYSA-N
MW476.76 g/mol
LogP9.07
Rot. Bonds4

About CID 70019143

CID 70019143 (PubChem CID 70019143) has the molecular formula C33H38NSi and a molecular weight of 476.76 g/mol.

Molecular Properties

Compound NameCID 70019143
PubChem CID70019143
Molecular FormulaC33H38NSi
Molecular Weight476.76 g/mol
Exact Mass476.28
IUPAC Name—
SMILESCCC1=NC2=CC=C(C)C2=C1C.CCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si]
InChIInChI=1S/C22H25Si.C11H13N/c1-5-7-16-14-20-18(8-6-9-19(20)21(16)23)15-10-12-17(13-11-15)22(2,3)4;1-4-9-8(3)11-7(2)5-6-10(11)12-9/h6,8-14,21H,5,7H2,1-4H3;5-6H,4H2,1-3H3
InChIKeyKRHGGOJHTISAAT-UHFFFAOYSA-N
XLogP9.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70019143?
The IUPAC name of CID 70019143 (CID 70019143) is not available.
What is the SMILES notation for CID 70019143?
The canonical SMILES for CID 70019143 is CCC1=NC2=CC=C(C)C2=C1C.CCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si].
What is the InChIKey of CID 70019143?
The InChIKey is KRHGGOJHTISAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Si.C11H13N/c1-5-7-16-14-20-18(8-6-9-19(20)21(16)23)15-10-12-17(13-11-15)22(2,3)4;1-4-9-8(3)11-7(2)5-6-10(11)12-9/h6,8-14,21H,5,7H2,1-4H3;5-6H,4H2,1-3H3.
What are the key properties of CID 70019143?
CID 70019143 has a molecular weight of 476.76 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70019143 is sourced from PubChem (CID 70019143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).