CID 160856423

C60H49Cl3ReSi-2 — CID 160856423

IUPAC—
SMILESC[SiH]C.Cl[Re](Cl)Cl.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/2C29H21.C2H7Si.3ClH.Re/c2*1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;1-3-2;;;;/h2*1-21H;3H,1-2H3;3*1H;/q2*-1;;;;;+3/p-3
InChIKeyYFHCJKSNFMXULR-UHFFFAOYSA-K
MW1090.70 g/mol
LogP18.73
Rot. Bonds8

About CID 160856423

CID 160856423 (PubChem CID 160856423) has the molecular formula C60H49Cl3ReSi-2 and a molecular weight of 1090.70 g/mol.

Molecular Properties

Compound NameCID 160856423
PubChem CID160856423
Molecular FormulaC60H49Cl3ReSi-2
Molecular Weight1090.70 g/mol
Exact Mass1089.22
IUPAC Name—
SMILESC[SiH]C.Cl[Re](Cl)Cl.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/2C29H21.C2H7Si.3ClH.Re/c2*1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;1-3-2;;;;/h2*1-21H;3H,1-2H3;3*1H;/q2*-1;;;;;+3/p-3
InChIKeyYFHCJKSNFMXULR-UHFFFAOYSA-K
XLogP18.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.70
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 160856423?
The IUPAC name of CID 160856423 (CID 160856423) is not available.
What is the SMILES notation for CID 160856423?
The canonical SMILES for CID 160856423 is C[SiH]C.Cl[Re](Cl)Cl.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of CID 160856423?
The InChIKey is YFHCJKSNFMXULR-UHFFFAOYSA-K. The full InChI is InChI=1S/2C29H21.C2H7Si.3ClH.Re/c2*1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;1-3-2;;;;/h2*1-21H;3H,1-2H3;3*1H;/q2*-1;;;;;+3/p-3.
What are the key properties of CID 160856423?
CID 160856423 has a molecular weight of 1090.70 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160856423 is sourced from PubChem (CID 160856423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).