CID 6365019

C30H32BNPSi+ — CID 6365019

IUPAC—
SMILES[B][P+]1(c2ccccc2)c2ccccc2[C@@H](C)N1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H32BNPSi/c1-24-28-22-14-15-23-29(28)33(31,25-16-8-5-9-17-25)32(24)34(30(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-24H,1-4H3/q+1/t24-,33?/m1/s1
InChIKeyCMPIBSZRDGEJCP-HVQYUPJGSA-N
MW476.47 g/mol
LogP5.59
Rot. Bonds4

About CID 6365019

CID 6365019 (PubChem CID 6365019) has the molecular formula C30H32BNPSi+ and a molecular weight of 476.47 g/mol.

Molecular Properties

Compound NameCID 6365019
PubChem CID6365019
Molecular FormulaC30H32BNPSi+
Molecular Weight476.47 g/mol
Exact Mass476.21
IUPAC Name—
SMILES[B][P+]1(c2ccccc2)c2ccccc2[C@@H](C)N1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H32BNPSi/c1-24-28-22-14-15-23-29(28)33(31,25-16-8-5-9-17-25)32(24)34(30(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-24H,1-4H3/q+1/t24-,33?/m1/s1
InChIKeyCMPIBSZRDGEJCP-HVQYUPJGSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6365019?
The IUPAC name of CID 6365019 (CID 6365019) is not available.
What is the SMILES notation for CID 6365019?
The canonical SMILES for CID 6365019 is [B][P+]1(c2ccccc2)c2ccccc2[C@@H](C)N1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 6365019?
The InChIKey is CMPIBSZRDGEJCP-HVQYUPJGSA-N. The full InChI is InChI=1S/C30H32BNPSi/c1-24-28-22-14-15-23-29(28)33(31,25-16-8-5-9-17-25)32(24)34(30(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-24H,1-4H3/q+1/t24-,33?/m1/s1.
What are the key properties of CID 6365019?
CID 6365019 has a molecular weight of 476.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6365019 is sourced from PubChem (CID 6365019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).