CID 162483162

C58H39N3OPdSi2 — CID 162483162

IUPAC—

SMILES[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1O3)(c1ccccc1)c1ccccc1

InChIInChI=1S/C58H39N3OSi2.Pd/c1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-30-15-17-36-59-51)48-34-35-49-50-40-55-57(41-53(50)61(52(49)39-48)58-33-16-18-37-60-58)64(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56-32-14-13-31-54(56)62-55;/h1-37,40-41H;/q-2;+2

InChIKeyJPGMQVVYRVXTBT-UHFFFAOYSA-N

MW956.56 g/mol

LogP7.70

Rot. Bonds8

About CID 162483162

CID 162483162 (PubChem CID 162483162) has the molecular formula C58H39N3OPdSi2 and a molecular weight of 956.56 g/mol.

Molecular Properties

Compound Name	CID 162483162
PubChem CID	162483162
Molecular Formula	C58H39N3OPdSi2
Molecular Weight	956.56 g/mol
Exact Mass	955.17
IUPAC Name	—
SMILES	[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1O3)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C58H39N3OSi2.Pd/c1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-30-15-17-36-59-51)48-34-35-49-50-40-55-57(41-53(50)61(52(49)39-48)58-33-16-18-37-60-58)64(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56-32-14-13-31-54(56)62-55;/h1-37,40-41H;/q-2;+2
InChIKey	JPGMQVVYRVXTBT-UHFFFAOYSA-N
XLogP	7.70
TPSA	39.94 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	65
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.56
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 162483162?

The IUPAC name of CID 162483162 (CID 162483162) is not available.

What is the SMILES notation for CID 162483162?

The canonical SMILES for CID 162483162 is [Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1O3)(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 162483162?

The InChIKey is JPGMQVVYRVXTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3OSi2.Pd/c1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-30-15-17-36-59-51)48-34-35-49-50-40-55-57(41-53(50)61(52(49)39-48)58-33-16-18-37-60-58)64(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56-32-14-13-31-54(56)62-55;/h1-37,40-41H;/q-2;+2.

What are the key properties of CID 162483162?

CID 162483162 has a molecular weight of 956.56 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162483162 is sourced from PubChem (CID 162483162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).