CID 153320155

C42H30N2Si2 — CID 153320155

IUPAC—
SMILESc1ccc(N2c3ccccc3[Si](c3ccccc3)c3cc4c(cc32)N(c2ccccc2)c2ccccc2[Si]4c2ccccc2)cc1
InChIInChI=1S/C42H30N2Si2/c1-5-17-31(18-6-1)43-35-25-13-15-27-39(35)45(33-21-9-3-10-22-33)41-30-42-38(29-37(41)43)44(32-19-7-2-8-20-32)36-26-14-16-28-40(36)46(42)34-23-11-4-12-24-34/h1-30H
InChIKeyRMWKGFOJRLVEIJ-UHFFFAOYSA-N
MW618.89 g/mol
LogP6.29
Rot. Bonds4

About CID 153320155

CID 153320155 (PubChem CID 153320155) has the molecular formula C42H30N2Si2 and a molecular weight of 618.89 g/mol.

Molecular Properties

Compound NameCID 153320155
PubChem CID153320155
Molecular FormulaC42H30N2Si2
Molecular Weight618.89 g/mol
Exact Mass618.19
IUPAC Name—
SMILESc1ccc(N2c3ccccc3[Si](c3ccccc3)c3cc4c(cc32)N(c2ccccc2)c2ccccc2[Si]4c2ccccc2)cc1
InChIInChI=1S/C42H30N2Si2/c1-5-17-31(18-6-1)43-35-25-13-15-27-39(35)45(33-21-9-3-10-22-33)41-30-42-38(29-37(41)43)44(32-19-7-2-8-20-32)36-26-14-16-28-40(36)46(42)34-23-11-4-12-24-34/h1-30H
InChIKeyRMWKGFOJRLVEIJ-UHFFFAOYSA-N
XLogP6.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.89
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 153320155?
The IUPAC name of CID 153320155 (CID 153320155) is not available.
What is the SMILES notation for CID 153320155?
The canonical SMILES for CID 153320155 is c1ccc(N2c3ccccc3[Si](c3ccccc3)c3cc4c(cc32)N(c2ccccc2)c2ccccc2[Si]4c2ccccc2)cc1.
What is the InChIKey of CID 153320155?
The InChIKey is RMWKGFOJRLVEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2Si2/c1-5-17-31(18-6-1)43-35-25-13-15-27-39(35)45(33-21-9-3-10-22-33)41-30-42-38(29-37(41)43)44(32-19-7-2-8-20-32)36-26-14-16-28-40(36)46(42)34-23-11-4-12-24-34/h1-30H.
What are the key properties of CID 153320155?
CID 153320155 has a molecular weight of 618.89 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153320155 is sourced from PubChem (CID 153320155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).