CID 158028743

C38H34P2Si — CID 158028743

IUPAC—
SMILESCC(C)(CP(c1ccccc1)c1ccccc1)[Si]c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C38H34P2Si/c1-38(2,29-39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)41-36-28-16-18-30-17-15-27-35(37(30)36)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-28H,29H2,1-2H3
InChIKeyIMCZUCAXGQSCOS-UHFFFAOYSA-N
MW580.72 g/mol
LogP7.26
Rot. Bonds9

About CID 158028743

CID 158028743 (PubChem CID 158028743) has the molecular formula C38H34P2Si and a molecular weight of 580.72 g/mol.

Molecular Properties

Compound NameCID 158028743
PubChem CID158028743
Molecular FormulaC38H34P2Si
Molecular Weight580.72 g/mol
Exact Mass580.19
IUPAC Name—
SMILESCC(C)(CP(c1ccccc1)c1ccccc1)[Si]c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C38H34P2Si/c1-38(2,29-39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)41-36-28-16-18-30-17-15-27-35(37(30)36)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-28H,29H2,1-2H3
InChIKeyIMCZUCAXGQSCOS-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.72
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
CID 11039191
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
2,2-dimethylpropane;triphenylphosphane
CID 143924519
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
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carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996

Frequently Asked Questions

What is the IUPAC name of CID 158028743?
The IUPAC name of CID 158028743 (CID 158028743) is not available.
What is the SMILES notation for CID 158028743?
The canonical SMILES for CID 158028743 is CC(C)(CP(c1ccccc1)c1ccccc1)[Si]c1cccc2cccc(P(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of CID 158028743?
The InChIKey is IMCZUCAXGQSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34P2Si/c1-38(2,29-39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)41-36-28-16-18-30-17-15-27-35(37(30)36)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34/h3-28H,29H2,1-2H3.
What are the key properties of CID 158028743?
CID 158028743 has a molecular weight of 580.72 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158028743 is sourced from PubChem (CID 158028743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).