CID 175335764

C44H38O2Si — CID 175335764

IUPAC—
SMILESCc1cc(C2=Cc3c(-c4ccccc4)cccc3C2C[Si]CC2C(c3cc(C)c(C)o3)=Cc3c(-c4ccccc4)cccc32)oc1C
InChIInChI=1S/C44H38O2Si/c1-27-21-43(45-29(27)3)39-23-37-33(31-13-7-5-8-14-31)17-11-19-35(37)41(39)25-47-26-42-36-20-12-18-34(32-15-9-6-10-16-32)38(36)24-40(42)44-22-28(2)30(4)46-44/h5-24,41-42H,25-26H2,1-4H3
InChIKeyZTTRWPZMGVOASE-UHFFFAOYSA-N
MW626.87 g/mol
LogP11.96
Rot. Bonds8

About CID 175335764

CID 175335764 (PubChem CID 175335764) has the molecular formula C44H38O2Si and a molecular weight of 626.87 g/mol.

Molecular Properties

Compound NameCID 175335764
PubChem CID175335764
Molecular FormulaC44H38O2Si
Molecular Weight626.87 g/mol
Exact Mass626.26
IUPAC Name—
SMILESCc1cc(C2=Cc3c(-c4ccccc4)cccc3C2C[Si]CC2C(c3cc(C)c(C)o3)=Cc3c(-c4ccccc4)cccc32)oc1C
InChIInChI=1S/C44H38O2Si/c1-27-21-43(45-29(27)3)39-23-37-33(31-13-7-5-8-14-31)17-11-19-35(37)41(39)25-47-26-42-36-20-12-18-34(32-15-9-6-10-16-32)38(36)24-40(42)44-22-28(2)30(4)46-44/h5-24,41-42H,25-26H2,1-4H3
InChIKeyZTTRWPZMGVOASE-UHFFFAOYSA-N
XLogP11.96
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.87
LogP ≤ 511.96
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 175335764?
The IUPAC name of CID 175335764 (CID 175335764) is not available.
What is the SMILES notation for CID 175335764?
The canonical SMILES for CID 175335764 is Cc1cc(C2=Cc3c(-c4ccccc4)cccc3C2C[Si]CC2C(c3cc(C)c(C)o3)=Cc3c(-c4ccccc4)cccc32)oc1C.
What is the InChIKey of CID 175335764?
The InChIKey is ZTTRWPZMGVOASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O2Si/c1-27-21-43(45-29(27)3)39-23-37-33(31-13-7-5-8-14-31)17-11-19-35(37)41(39)25-47-26-42-36-20-12-18-34(32-15-9-6-10-16-32)38(36)24-40(42)44-22-28(2)30(4)46-44/h5-24,41-42H,25-26H2,1-4H3.
What are the key properties of CID 175335764?
CID 175335764 has a molecular weight of 626.87 g/mol, XLogP of 11.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175335764 is sourced from PubChem (CID 175335764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).