CID 173368162

C43H47BN2Si — CID 173368162

IUPAC—
SMILESCC(C)Cc1cccc(C([SiH2]c2ccccc2)(c2cccc(CC(C)C)c2)n2ccnc2)c1.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2Si.C13H11B/c1-23(2)18-25-10-8-12-27(20-25)30(32-17-16-31-22-32,33-29-14-6-5-7-15-29)28-13-9-11-26(21-28)19-24(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-17,20-24H,18-19,33H2,1-4H3;1-10,13H
InChIKeyFVVXKNLSXNWPPS-UHFFFAOYSA-N
MW630.76 g/mol
LogP8.47
Rot. Bonds11

About CID 173368162

CID 173368162 (PubChem CID 173368162) has the molecular formula C43H47BN2Si and a molecular weight of 630.76 g/mol.

Molecular Properties

Compound NameCID 173368162
PubChem CID173368162
Molecular FormulaC43H47BN2Si
Molecular Weight630.76 g/mol
Exact Mass630.36
IUPAC Name—
SMILESCC(C)Cc1cccc(C([SiH2]c2ccccc2)(c2cccc(CC(C)C)c2)n2ccnc2)c1.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2Si.C13H11B/c1-23(2)18-25-10-8-12-27(20-25)30(32-17-16-31-22-32,33-29-14-6-5-7-15-29)28-13-9-11-26(21-28)19-24(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-17,20-24H,18-19,33H2,1-4H3;1-10,13H
InChIKeyFVVXKNLSXNWPPS-UHFFFAOYSA-N
XLogP8.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.76
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173368162?
The IUPAC name of CID 173368162 (CID 173368162) is not available.
What is the SMILES notation for CID 173368162?
The canonical SMILES for CID 173368162 is CC(C)Cc1cccc(C([SiH2]c2ccccc2)(c2cccc(CC(C)C)c2)n2ccnc2)c1.[B]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 173368162?
The InChIKey is FVVXKNLSXNWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2Si.C13H11B/c1-23(2)18-25-10-8-12-27(20-25)30(32-17-16-31-22-32,33-29-14-6-5-7-15-29)28-13-9-11-26(21-28)19-24(3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-17,20-24H,18-19,33H2,1-4H3;1-10,13H.
What are the key properties of CID 173368162?
CID 173368162 has a molecular weight of 630.76 g/mol, XLogP of 8.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173368162 is sourced from PubChem (CID 173368162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).