CID 175501178

C40H37OSi — CID 175501178

IUPAC—
SMILESCC1=C(C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccccc2)c2c(cc([Si](C)C)c(C)c2-c2ccccc2)C1
InChIInChI=1S/C40H37OSi/c1-24-17-19-31-32(36(24)28-13-9-7-10-14-28)23-33(34-20-18-26(3)41-34)40(31)37-25(2)21-30-22-35(42(5)6)27(4)38(39(30)37)29-15-11-8-12-16-29/h7-20,22-23,40H,21H2,1-6H3
InChIKeyAFGZJCSOMOMZCZ-UHFFFAOYSA-N
MW561.82 g/mol
LogP10.17
Rot. Bonds5

About CID 175501178

CID 175501178 (PubChem CID 175501178) has the molecular formula C40H37OSi and a molecular weight of 561.82 g/mol.

Molecular Properties

Compound NameCID 175501178
PubChem CID175501178
Molecular FormulaC40H37OSi
Molecular Weight561.82 g/mol
Exact Mass561.26
IUPAC Name—
SMILESCC1=C(C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccccc2)c2c(cc([Si](C)C)c(C)c2-c2ccccc2)C1
InChIInChI=1S/C40H37OSi/c1-24-17-19-31-32(36(24)28-13-9-7-10-14-28)23-33(34-20-18-26(3)41-34)40(31)37-25(2)21-30-22-35(42(5)6)27(4)38(39(30)37)29-15-11-8-12-16-29/h7-20,22-23,40H,21H2,1-6H3
InChIKeyAFGZJCSOMOMZCZ-UHFFFAOYSA-N
XLogP10.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.82
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 175501178?
The IUPAC name of CID 175501178 (CID 175501178) is not available.
What is the SMILES notation for CID 175501178?
The canonical SMILES for CID 175501178 is CC1=C(C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccccc2)c2c(cc([Si](C)C)c(C)c2-c2ccccc2)C1.
What is the InChIKey of CID 175501178?
The InChIKey is AFGZJCSOMOMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37OSi/c1-24-17-19-31-32(36(24)28-13-9-7-10-14-28)23-33(34-20-18-26(3)41-34)40(31)37-25(2)21-30-22-35(42(5)6)27(4)38(39(30)37)29-15-11-8-12-16-29/h7-20,22-23,40H,21H2,1-6H3.
What are the key properties of CID 175501178?
CID 175501178 has a molecular weight of 561.82 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175501178 is sourced from PubChem (CID 175501178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).